data_2mfg_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 2mfg _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 . . . . . 0.427 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 7.2 tpp . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 120.398 0.142 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.2 tm? -126.57 111.18 14.06 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 171.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 1' ' ' MET . 5.1 mp -106.13 143.29 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.02 0.928 . . . . 0.0 110.362 -175.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -161.41 173.21 15.24 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.116 0.566 . . . . 0.0 110.919 173.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -109.91 155.15 22.09 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.158 0.504 . . . . 0.0 110.989 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.34 166.89 24.26 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.83 1.252 . . . . 0.0 109.304 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -115.51 153.57 30.91 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -57.74 127.49 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.77 7.2 53.68 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.617 -0.546 . . . . 0.0 112.791 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -118.3 178.62 4.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.056 0.928 . . . . 0.0 110.939 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.4 m -139.74 170.45 15.87 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -170.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.9 mm -141.15 163.6 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 127.059 2.144 . . . . 0.0 107.15 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -134.75 151.65 51.14 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.8 0.727 . . . . 0.0 111.27 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -145.95 144.38 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.565 0.746 . . . . 0.0 110.257 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.39 12.82 9.36 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.193 0.901 . . . . 0.0 114.627 171.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 57.13 10.51 0.84 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.245 1.018 . . . . 0.0 113.608 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -141.27 7.67 1.99 Allowed 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.559 0.744 . . . . 0.0 110.843 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.39 145.3 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -138.84 152.63 48.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -132.34 144.8 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -139.18 120.82 15.22 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -75.43 99.85 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 174.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.7 mt -73.83 -27.47 61.12 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 122.172 -0.33 . . . . 0.0 111.78 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.04 -179.09 39.16 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 m -120.2 163.33 17.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-O 121.193 0.52 . . . . 0.0 111.016 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -151.44 60.07 0.89 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.63 -133.76 16.37 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -177.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.58 -18.01 65.0 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.422 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -87.73 148.57 24.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.1 t -140.01 125.39 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -88.35 130.18 35.21 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -137.69 154.59 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -172.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.61 157.99 19.82 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.7 mt -138.1 144.66 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -139.78 111.52 7.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.71 158.34 34.15 Favored Pre-proline 0 N--CA 1.45 -0.439 0 C-N-CA 123.502 0.721 . . . . 0.0 109.626 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.95 152.7 81.42 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.913 2.409 . . . . 0.0 110.38 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -69.99 -0.81 8.13 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 122.093 -0.379 . . . . 0.0 110.733 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -68.08 -8.76 40.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.448 0.699 . . . . 0.0 110.297 171.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.18 169.09 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.295 1.038 . . . . 0.0 108.223 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.36 160.4 30.54 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.59 0.233 . . . . 0.0 111.401 -174.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -143.54 131.36 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -156.18 162.31 40.21 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.468 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 27.7 ttt85 -59.39 150.75 25.48 Favored 'General case' 0 CA--C 1.527 0.064 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 169.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -60.9 -24.35 65.92 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -172.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' H ' ' HG2' ' A' ' 44' ' ' ARG . 76.0 mm-40 -74.37 -46.92 37.39 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.945 -0.472 . . . . 0.0 110.56 175.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -64.4 -27.89 43.66 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.2 t80 . . . . . 0 N--CA 1.45 -0.453 0 C-N-CA 123.462 0.705 . . . . 0.0 110.686 177.821 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.427 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 11.1 tpp . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 120.273 0.082 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -126.95 108.69 11.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 170.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.42 ' CD1' ' HG2' ' C' ' 1' ' ' MET . 4.6 mp -97.9 150.95 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 123.959 0.903 . . . . 0.0 109.651 -174.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 82.8 mt -151.48 179.84 8.01 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.142 0.977 . . . . 0.0 111.183 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.3 p -131.8 128.81 39.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 166.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -131.18 138.71 49.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -86.77 155.29 20.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.928 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.419 HG13 HG13 ' C' ' 25' ' ' VAL . 18.0 m -54.32 127.15 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.515 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.9 1.45 45.65 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-O 119.44 -0.645 . . . . 0.0 113.074 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -114.56 179.62 3.9 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.73 1.265 . . . . 0.0 111.14 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.5 m -134.44 171.68 13.97 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -171.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mt -147.8 167.66 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 126.262 1.825 . . . . 0.0 106.493 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -136.92 154.15 50.54 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.507 0.594 . . . . 0.0 111.229 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.0 mt -142.05 142.24 28.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 C-N-CA 123.953 0.901 . . . . 0.0 109.127 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.5 -133.32 52.73 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -136.54 11.79 3.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.247 0.619 . . . . 0.0 109.873 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -144.37 10.21 1.45 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.176 0.591 . . . . 0.0 111.966 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.04 145.95 34.86 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 118.818 0.735 . . . . 0.0 110.239 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -137.68 154.55 49.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.4 mm -136.2 148.38 27.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -176.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -141.88 130.1 22.22 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.951 0.405 . . . . 0.0 110.006 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -84.9 87.78 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.71 -28.27 68.94 Favored 'General case' 0 C--N 1.338 0.087 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -168.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.1 -176.26 46.54 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.906 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . 0.419 HG13 HG13 ' C' ' 8' ' ' VAL . 7.3 p -140.64 145.07 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.515 0.726 . . . . 0.0 109.433 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -147.82 60.2 1.13 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.612 1.165 . . . . 0.0 108.726 -175.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.03 -133.92 17.64 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.72 -10.11 33.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.906 -0.568 . . . . 0.0 111.206 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -102.13 148.61 25.19 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 118.567 0.621 . . . . 0.0 109.528 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.3 t -138.25 147.07 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -115.36 130.27 56.84 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.88 153.75 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -169.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.05 155.85 20.47 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 1' ' ' MET . 68.9 mt -137.96 144.56 30.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.7 t-20 -139.83 109.06 6.1 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.32 160.66 30.68 Favored Pre-proline 0 N--CA 1.451 -0.387 0 C-N-CA 124.151 0.98 . . . . 0.0 109.086 -176.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.22 151.89 83.96 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.819 2.346 . . . . 0.0 110.221 174.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -69.42 -0.76 6.91 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.809 -0.557 . . . . 0.0 110.653 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.92 -5.38 25.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.02 0.928 . . . . 0.0 110.883 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 m -134.78 169.69 20.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.85 156.02 34.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.953 -0.467 . . . . 0.0 111.095 -174.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 m -146.05 131.93 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -157.64 169.78 23.88 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 118.061 0.392 . . . . 0.0 111.466 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 44.3 mtp-105 -64.65 150.64 46.69 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 170.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -61.39 -26.83 68.1 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.103 -0.373 . . . . 0.0 110.629 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -72.74 -43.88 62.37 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.822 0.449 . . . . 0.0 110.375 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -69.98 -31.2 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 79.9 t80 . . . . . 0 N--CA 1.45 -0.473 0 C-N-CA 123.256 0.622 . . . . 0.0 111.827 -176.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 mmm . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.942 0.401 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.26 108.18 7.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 169.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -98.56 150.58 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.515 0.726 . . . . 0.0 109.441 -173.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.431 HD12 ' H ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -154.81 164.52 38.7 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.01 0.924 . . . . 0.0 109.231 -172.034 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.431 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.3 p -125.92 152.58 45.42 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 170.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -148.98 162.64 39.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -115.97 162.16 17.78 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 118.169 0.44 . . . . 0.0 110.23 173.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -57.32 131.96 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.986 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.41 6.79 58.49 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.442 -0.643 . . . . 0.0 112.999 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -118.62 178.59 4.41 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 118.227 1.014 . . . . 0.0 110.315 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -137.25 170.16 16.57 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -169.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mt -143.62 166.05 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 126.898 2.079 . . . . 0.0 106.871 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -138.12 155.0 49.18 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.696 0.68 . . . . 0.0 112.083 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -139.79 147.46 23.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 124.296 1.038 . . . . 0.0 108.569 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.1 -138.3 39.35 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -133.7 15.85 3.97 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.147 0.579 . . . . 0.0 109.932 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -143.55 10.41 1.63 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.845 0.858 . . . . 0.0 111.989 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.24 147.74 32.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 119.067 0.848 . . . . 0.0 111.084 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -139.07 154.89 48.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.28 1.032 . . . . 0.0 108.583 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -136.8 143.24 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -139.46 129.23 24.69 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.788 0.328 . . . . 0.0 110.369 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -83.16 93.91 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.3 -27.31 64.29 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -170.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.08 -179.81 40.55 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.333 -0.461 . . . . 0.0 112.06 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -125.58 163.39 26.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 121.372 0.606 . . . . 0.0 110.563 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 m -151.32 59.51 0.9 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.622 1.169 . . . . 0.0 108.019 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.36 -132.99 17.31 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -66.15 -11.05 46.77 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.077 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -98.86 149.2 23.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 118.934 0.788 . . . . 0.0 109.029 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.2 t -134.77 146.45 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -112.1 128.52 56.23 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -134.0 155.21 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -170.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.01 156.57 20.78 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' C' ' 1' ' ' MET . 64.0 mt -137.81 144.84 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -140.53 108.85 5.81 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.14 161.54 29.03 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 123.742 0.817 . . . . 0.0 109.283 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.28 156.84 63.07 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.912 2.408 . . . . 0.0 110.742 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -69.27 -0.46 6.2 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.012 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.19 -10.54 42.56 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.323 1.049 . . . . 0.0 110.296 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.52 169.18 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 124.554 1.142 . . . . 0.0 108.796 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.02 156.61 33.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 122.195 -0.316 . . . . 0.0 111.129 -175.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -145.19 128.68 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -156.55 158.13 36.59 Favored 'General case' 0 C--N 1.337 0.063 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.4 ptt85 -70.17 159.23 34.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -56.78 -23.92 46.73 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -170.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -75.06 -45.02 44.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.829 0.741 . . . . 0.0 110.797 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.6 mm -73.94 -28.46 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.3 t80 . . . . . 0 N--CA 1.449 -0.522 0 C-N-CA 123.047 0.539 . . . . 0.0 111.158 -179.188 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.415 ' HG2' ' CD1' ' C' ' 3' ' ' ILE . 7.3 tpp . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.817 -0.068 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -125.06 109.74 13.3 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 171.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.415 ' CD1' ' HG2' ' C' ' 1' ' ' MET . 5.0 mp -104.82 141.82 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.775 0.83 . . . . 0.0 110.029 -175.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.3 174.66 12.52 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.567 174.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -110.74 158.0 19.14 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.222 0.534 . . . . 0.0 111.239 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.24 153.05 38.2 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -95.55 149.07 21.83 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.78 119.65 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.85 5.06 25.86 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.332 -0.705 . . . . 0.0 112.914 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -121.22 -176.16 3.22 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.424 1.112 . . . . 0.0 110.82 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -135.95 171.39 14.54 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mt -146.12 166.39 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 126.699 1.999 . . . . 0.0 106.973 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -139.71 154.05 47.37 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 118.754 0.706 . . . . 0.0 111.858 -176.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -147.27 149.68 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 123.962 0.905 . . . . 0.0 109.648 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.51 13.99 4.53 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 124.741 1.162 . . . . 0.0 115.186 171.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 55.17 12.04 0.62 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -142.67 8.99 1.76 Allowed 'General case' 0 C--N 1.34 0.187 0 C-N-CA 123.667 0.787 . . . . 0.0 110.609 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.43 149.64 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -136.21 150.48 49.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.4 mm -133.02 147.75 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 13.1 m -141.98 125.1 16.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -81.08 87.1 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.53 -27.95 69.31 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -170.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.68 -173.92 43.92 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 120.39 -0.91 . . . . 0.0 113.106 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.35 140.27 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.882 0.873 . . . . 0.0 109.344 -173.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -150.76 83.5 1.34 Allowed 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.921 0.888 . . . . 0.0 108.631 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.68 -142.09 39.67 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 -173.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -69.89 -12.93 61.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.616 0.708 . . . . 0.0 111.589 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -78.23 149.81 33.57 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -142.76 118.59 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -90.05 136.19 33.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -135.59 150.95 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -170.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.61 150.38 18.36 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.3 mt -138.66 144.43 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -144.57 105.52 4.18 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.59 159.26 36.64 Favored Pre-proline 0 C--N 1.332 -0.155 0 C-N-CA 123.375 0.67 . . . . 0.0 109.797 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.23 154.03 75.75 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.466 2.778 . . . . 0.0 110.695 173.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -70.18 -2.02 11.9 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.99 -0.444 . . . . 0.0 110.758 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.93 -8.76 31.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.092 0.957 . . . . 0.0 110.032 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m -138.02 169.36 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.135 0.974 . . . . 0.0 108.534 176.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.12 160.23 30.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.063 -0.398 . . . . 0.0 111.537 -173.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.9 m -146.4 131.59 12.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -157.08 166.74 32.46 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 122.239 -0.288 . . . . 0.0 110.329 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.15 156.24 25.74 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 172.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -59.28 -23.9 62.79 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 122.11 -0.368 . . . . 0.0 111.374 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -75.18 -49.13 20.46 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.256 -0.278 . . . . 0.0 110.752 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.6 mm -69.6 -29.37 41.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-O 121.116 0.484 . . . . 0.0 110.31 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 83.5 t80 . . . . . 0 N--CA 1.452 -0.33 0 C-N-CA 123.892 0.877 . . . . 0.0 112.104 -177.046 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 119.876 -0.106 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -124.1 113.74 18.77 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.38 138.12 42.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 123.877 0.871 . . . . 0.0 108.971 -172.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.72 169.56 22.54 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 122.699 0.399 . . . . 0.0 110.79 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.4 p -106.0 157.84 17.22 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.605 0.717 . . . . 0.0 111.28 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -146.81 155.76 42.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.028 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -104.05 152.19 22.36 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 m -57.07 128.23 17.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.08 7.96 55.76 Favored Glycine 0 CA--C 1.531 1.074 0 CA-C-O 119.627 -0.541 . . . . 0.0 112.789 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -119.45 -177.35 3.35 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.903 0.851 . . . . 0.0 110.31 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 m -139.01 169.65 17.4 Favored 'General case' 0 C--N 1.339 0.147 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mm -140.27 163.58 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 126.667 1.987 . . . . 0.0 106.245 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -136.36 150.35 48.79 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.259 0.936 . . . . 0.0 111.164 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -145.94 142.34 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.789 0.836 . . . . 0.0 110.77 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.03 18.85 9.68 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 124.265 0.936 . . . . 0.0 114.348 172.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p30 45.9 17.09 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.943 1.697 . . . . 0.0 115.079 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -137.67 6.42 2.71 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 123.597 0.759 . . . . 0.0 110.158 172.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.21 146.92 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -138.04 154.81 49.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -131.41 142.4 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.3 m -134.18 119.91 19.41 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -78.76 92.46 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -68.57 -28.27 66.8 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -170.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.53 -178.73 38.97 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 121.381 -0.437 . . . . 0.0 112.22 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -117.27 163.12 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 CA-C-O 121.603 0.715 . . . . 0.0 110.754 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.2 t -151.07 58.58 0.91 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.66 -134.85 22.73 Favored Glycine 0 C--N 1.337 0.621 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.22 -9.59 33.65 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.133 0.466 . . . . 0.0 111.287 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -97.62 148.28 23.45 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.33 137.27 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -100.66 129.55 46.59 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -135.06 151.72 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -171.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.16 156.37 18.28 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' C' ' 1' ' ' MET . 66.3 mt -136.78 144.86 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -139.57 107.4 5.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.22 158.19 36.6 Favored Pre-proline 0 N--CA 1.452 -0.362 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.8 145.87 96.93 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.059 1.839 . . . . 0.0 108.992 175.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -62.68 -8.45 6.64 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.143 0.497 . . . . 0.0 110.999 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.4 -6.63 15.12 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.691 1.996 . . . . 0.0 112.346 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -133.84 169.23 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 176.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.67 156.19 25.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.838 0.29 . . . . 0.0 111.545 -173.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.5 m -146.58 126.24 5.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -156.28 160.88 40.16 Favored 'General case' 0 CA--C 1.521 -0.161 0 O-C-N 121.867 -0.52 . . . . 0.0 110.406 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -65.73 156.41 33.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.32 -23.52 62.55 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -76.19 -45.02 35.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.048 -0.407 . . . . 0.0 110.365 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.34 -31.92 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 N--CA 1.452 -0.358 0 C-N-CA 123.191 0.596 . . . . 0.0 111.376 -177.728 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.436 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 9.9 tpp . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.2 tm? -128.51 108.1 10.26 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 171.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.424 ' CD1' ' HG2' ' C' ' 1' ' ' MET . 5.1 mp -103.25 141.12 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.486 0.714 . . . . 0.0 110.205 -174.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -161.56 173.19 15.14 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.041 0.536 . . . . 0.0 110.687 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.0 p -108.43 157.21 18.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.382 0.61 . . . . 0.0 110.81 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -148.65 138.86 22.42 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.984 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -80.78 153.11 27.94 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.43 136.99 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.98 -0.28 72.51 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.437 -0.646 . . . . 0.0 112.52 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -104.47 -178.03 3.54 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.162 0.981 . . . . 0.0 110.131 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 40.0 m -137.53 169.12 18.33 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -171.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 59.1 mt -144.16 167.59 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 126.426 1.89 . . . . 0.0 107.018 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -140.89 155.88 46.21 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 121.667 -0.646 . . . . 0.0 111.713 -177.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -140.15 147.56 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.981 0.912 . . . . 0.0 108.601 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.12 -135.11 44.16 Favored Glycine 0 C--N 1.337 0.625 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -134.45 12.61 3.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.998 0.519 . . . . 0.0 109.904 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -142.84 11.25 1.82 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.366 0.666 . . . . 0.0 111.729 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.41 149.45 33.67 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 CA-C-O 121.627 0.727 . . . . 0.0 110.322 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.0 m -137.77 154.39 49.59 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 36.0 mm -137.65 149.78 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 -176.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -141.66 149.79 41.07 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.37 86.0 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.52 -25.55 67.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -169.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -176.93 37.8 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.548 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.67 163.61 16.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 CA-C-O 121.834 0.825 . . . . 0.0 110.264 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -151.18 59.87 0.91 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.24 -133.81 18.77 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.12 -10.3 48.7 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.269 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -97.47 150.93 20.52 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.852 0.751 . . . . 0.0 109.662 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.06 141.68 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -105.91 130.04 53.94 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.4 155.39 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.086 -169.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.44 151.6 17.63 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -141.04 144.44 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -144.56 104.6 4.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -175.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.74 159.96 31.73 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 123.568 0.747 . . . . 0.0 109.822 -176.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.16 150.2 88.8 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 123.136 2.558 . . . . 0.0 110.235 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -64.43 -3.44 2.99 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.819 -0.551 . . . . 0.0 110.93 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.9 -6.25 15.78 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.965 0.906 . . . . 0.0 110.87 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -136.14 163.56 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.88 156.43 32.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.073 -0.392 . . . . 0.0 111.196 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 m -144.68 132.66 17.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -156.95 164.34 38.14 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.649 0.261 . . . . 0.0 110.905 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -69.94 151.04 46.08 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -59.75 -34.24 72.7 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -169.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -80.13 -13.89 58.92 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.38 -0.825 . . . . 0.0 111.781 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -90.55 -29.67 4.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 172.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 . . . . . 0 N--CA 1.452 -0.352 0 C-N-CA 123.457 0.703 . . . . 0.0 111.675 -178.181 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.439 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 13.0 tpp . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.148 0.023 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.0 tm? -126.98 105.22 8.46 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.01 144.09 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.108 0.963 . . . . 0.0 110.365 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -162.3 173.77 13.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.654 0.782 . . . . 0.0 110.74 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -112.38 153.74 26.83 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.975 0.416 . . . . 0.0 110.995 176.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.52 164.87 30.3 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.579 1.152 . . . . 0.0 108.798 173.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -108.57 152.38 24.85 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.101 0.56 . . . . 0.0 109.526 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.8 m -58.43 114.64 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-O 120.926 0.393 . . . . 0.0 110.505 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.48 -12.06 13.96 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -91.02 -178.37 5.17 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 117.636 0.718 . . . . 0.0 111.158 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -140.55 171.86 13.52 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.32 0.581 . . . . 0.0 112.525 -173.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.4 mt -146.52 166.34 7.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 126.095 1.758 . . . . 0.0 106.828 -176.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -140.75 148.39 40.62 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.037 -0.414 . . . . 0.0 111.004 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -145.83 145.53 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 C-N-CA 123.18 0.592 . . . . 0.0 110.568 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.38 13.64 7.69 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.926 0.774 . . . . 0.0 114.374 171.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 56.06 11.8 0.81 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.375 1.07 . . . . 0.0 113.726 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -141.62 7.77 1.92 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.269 0.628 . . . . 0.0 110.528 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.96 144.9 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.6 m -135.32 150.81 50.06 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -133.44 147.56 31.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -140.35 124.94 18.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -78.47 94.4 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.74 -26.46 65.26 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.85 -171.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.0 -171.84 42.51 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.364 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.87 146.83 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.842 0.857 . . . . 0.0 110.035 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.8 m -147.06 67.08 1.15 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.658 1.183 . . . . 0.0 108.424 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.59 -131.5 14.57 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 -175.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.08 -23.57 67.2 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.641 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.417 ' HA ' ' HB3' ' C' ' 7' ' ' LYS . 13.3 tt0 -81.74 149.99 28.17 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.115 0.484 . . . . 0.0 110.141 -177.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -145.63 113.29 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -172.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -87.64 132.47 34.08 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -135.31 154.25 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -172.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.37 156.41 20.41 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.3 mt -136.22 144.51 32.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -176.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -141.33 107.97 5.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.19 159.22 33.16 Favored Pre-proline 0 N--CA 1.455 -0.222 0 C-N-CA 123.386 0.674 . . . . 0.0 109.819 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.43 154.45 68.37 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.119 2.546 . . . . 0.0 109.924 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HE3' ' N ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -70.03 -4.92 23.18 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 121.716 -0.615 . . . . 0.0 110.233 178.532 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.85 -6.7 17.32 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.73 1.212 . . . . 0.0 111.047 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.1 m -135.52 163.7 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.57 152.06 34.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.054 -0.404 . . . . 0.0 110.962 -174.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.86 131.51 15.39 Favored 'Isoleucine or valine' 0 C--N 1.337 0.057 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -156.17 162.8 40.16 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-O 120.937 0.399 . . . . 0.0 111.627 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -59.26 143.56 48.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 169.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -58.27 -27.66 64.23 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.181 0.446 . . . . 0.0 111.931 -174.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -63.86 -49.06 74.26 Favored 'General case' 0 CA--C 1.527 0.095 0 O-C-N 121.917 -0.489 . . . . 0.0 110.548 174.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.2 mm -72.98 -24.29 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 122.497 0.319 . . . . 0.0 110.545 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.2 t80 . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.515 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.435 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 9.8 tpp . . . . . 0 N--CA 1.472 0.635 0 CA-C-O 120.386 0.136 . . . . 0.0 110.735 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -123.22 105.48 9.92 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.411 ' CD1' ' HG2' ' C' ' 1' ' ' MET . 4.9 mp -100.51 142.76 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.033 0.933 . . . . 0.0 110.434 -174.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.3 168.51 23.87 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.313 0.645 . . . . 0.0 110.503 174.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.2 p -107.59 151.36 25.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.626 0.727 . . . . 0.0 111.444 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.42 170.17 16.88 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 126.089 1.755 . . . . 0.0 106.578 173.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . 19.1 pttm -143.05 168.65 19.22 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 17.7 m -48.37 128.94 4.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.05 5.08 62.69 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 119.5 -0.611 . . . . 0.0 112.956 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -108.12 176.29 5.18 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.144 0.972 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.4 m -141.41 171.01 14.65 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.457 HG22 ' H ' ' C' ' 13' ' ' ASN . 8.5 mt -143.84 170.08 9.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 125.575 1.55 . . . . 0.0 107.124 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . 0.457 ' H ' HG22 ' C' ' 12' ' ' ILE . 11.0 t-20 -140.57 146.9 38.63 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 121.474 -0.766 . . . . 0.0 110.758 -178.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -145.86 142.84 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 123.618 0.767 . . . . 0.0 110.341 -176.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.52 10.42 5.91 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.122 0.868 . . . . 0.0 114.789 171.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.4 t0 55.56 14.32 1.18 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.099 0.95 . . . . 0.0 113.508 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -140.88 6.83 2.03 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.317 0.647 . . . . 0.0 110.108 174.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.79 147.85 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -139.74 152.82 46.94 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 mm -130.92 148.01 33.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -142.97 125.56 15.84 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -79.37 95.19 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.9 mt -70.72 -27.07 63.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -171.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.77 177.12 40.54 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.209 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.48 149.29 32.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 C-N-CA 123.126 0.571 . . . . 0.0 110.454 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.1 p -151.08 78.85 1.3 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.82 0.848 . . . . 0.0 109.103 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.3 -141.97 36.55 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.12 -10.85 44.73 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 118.931 -0.557 . . . . 0.0 111.495 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -97.87 148.69 23.17 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 118.8 0.727 . . . . 0.0 109.605 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 23.2 t -137.09 138.68 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -104.4 127.38 52.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -132.09 153.26 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -171.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.47 155.27 19.94 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 1' ' ' MET . 67.4 mt -135.24 144.65 33.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -178.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -138.08 109.14 6.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.66 159.14 32.43 Favored Pre-proline 0 C--O 1.234 0.277 0 C-N-CA 123.578 0.751 . . . . 0.0 109.584 -177.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.413 ' C ' ' H ' ' C' ' 39' ' ' ASP . 36.4 Cg_endo -65.54 152.22 82.49 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.981 2.454 . . . . 0.0 110.443 173.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -63.98 -1.5 1.5 Allowed 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 173.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' C' ' 37' ' ' PRO . 24.9 t70 -66.26 -10.78 45.52 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.375 1.07 . . . . 0.0 110.502 174.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -138.36 169.09 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.625 1.17 . . . . 0.0 108.187 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.49 155.46 34.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.277 -0.264 . . . . 0.0 110.819 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -144.07 128.37 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -156.72 156.8 34.0 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 ptt-85 -64.08 155.65 30.72 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 170.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.01 -23.24 61.76 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -170.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -69.29 -52.55 26.4 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 118.536 0.607 . . . . 0.0 110.972 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 25.4 mm -65.51 -26.65 39.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.099 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 . . . . . 0 N--CA 1.447 -0.595 0 C-N-CA 122.665 0.386 . . . . 0.0 110.68 178.815 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mmm . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 121.178 0.513 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -136.03 113.84 11.13 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 168.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -112.76 141.19 29.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 123.555 0.742 . . . . 0.0 110.244 -172.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -160.88 166.55 28.27 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.03 0.532 . . . . 0.0 110.492 175.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.1 p -102.99 157.16 17.17 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.206 0.527 . . . . 0.0 111.21 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -146.05 164.5 31.93 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.851 1.66 . . . . 0.0 107.875 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -118.72 158.69 25.06 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.424 HG13 HG13 ' A' ' 25' ' ' VAL . 18.3 m -53.66 121.35 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.49 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.34 8.76 35.05 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 119.767 -0.463 . . . . 0.0 112.764 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -116.01 179.83 3.87 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.025 0.912 . . . . 0.0 110.184 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -140.59 169.94 16.72 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 121.76 0.79 . . . . 0.0 112.669 -172.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.1 mm -142.76 163.36 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 126.94 2.096 . . . . 0.0 106.631 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -137.94 154.84 49.37 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.662 -0.649 . . . . 0.0 111.781 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -141.14 144.43 26.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.48 -136.3 40.18 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -134.87 15.11 3.6 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.216 0.606 . . . . 0.0 109.987 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -141.14 8.52 2.06 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.612 0.765 . . . . 0.0 111.831 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.92 147.48 33.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 118.807 0.731 . . . . 0.0 110.848 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.5 m -140.39 154.62 46.76 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.217 1.007 . . . . 0.0 108.374 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -135.67 149.72 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -143.51 151.84 40.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.06 89.89 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.0 mt -69.26 -23.64 63.88 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -170.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.62 -176.43 44.14 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.744 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.424 HG13 HG13 ' A' ' 8' ' ' VAL . 9.2 p -141.07 144.76 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 123.777 0.831 . . . . 0.0 109.531 -175.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 m -149.95 73.7 1.18 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.764 0.826 . . . . 0.0 108.837 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.11 -139.39 29.46 Favored Glycine 0 C--N 1.338 0.685 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.27 -16.58 64.14 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.789 176.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.95 151.11 24.46 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 119.062 0.846 . . . . 0.0 109.076 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -143.7 133.18 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -99.1 130.25 45.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -128.4 153.89 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -169.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.37 152.92 17.49 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.5 mt -141.01 143.19 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -143.98 104.51 4.16 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.64 159.69 33.93 Favored Pre-proline 0 N--CA 1.451 -0.42 0 C-N-CA 124.125 0.97 . . . . 0.0 109.389 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -65.19 152.28 82.72 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.874 2.383 . . . . 0.0 110.316 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -69.57 -1.97 10.2 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.13 -0.356 . . . . 0.0 110.516 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -69.09 -7.16 33.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.985 0.914 . . . . 0.0 110.421 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.47 169.21 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.15 155.56 34.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.169 -0.332 . . . . 0.0 111.634 -172.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -146.73 131.41 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -158.18 169.11 25.25 Favored 'General case' 0 C--O 1.232 0.132 0 O-C-N 121.592 -0.693 . . . . 0.0 112.003 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.18 150.78 28.86 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.639 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.89 -23.98 65.62 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 122.302 -0.249 . . . . 0.0 111.109 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -78.91 -42.89 25.98 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.307 -0.246 . . . . 0.0 110.681 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -70.31 -33.76 55.59 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 C-N-CA 122.828 0.451 . . . . 0.0 110.029 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.1 t80 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 123.291 0.637 . . . . 0.0 111.58 -177.803 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmm . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 119.987 -0.054 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.81 115.18 16.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.0 138.88 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.91 0.884 . . . . 0.0 109.874 -172.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -160.91 168.06 25.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.844 0.458 . . . . 0.0 110.644 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.9 p -107.24 157.26 18.04 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.481 0.657 . . . . 0.0 111.575 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.86 164.92 31.31 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.249 1.819 . . . . 0.0 107.19 175.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -117.37 161.97 18.68 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 171.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.41 HG11 HG11 ' C' ' 25' ' ' VAL . 20.0 m -51.59 128.31 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.589 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.69 8.68 57.04 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.499 -0.611 . . . . 0.0 112.761 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -113.67 176.1 5.17 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.42 1.11 . . . . 0.0 110.59 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.3 m -139.55 169.16 18.26 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -171.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.4 mm -141.24 161.52 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 127.012 2.125 . . . . 0.0 106.94 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -134.86 154.32 51.69 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.676 -0.64 . . . . 0.0 111.293 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -141.13 139.59 33.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.56 -131.41 46.55 Favored Glycine 0 C--N 1.337 0.629 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -139.41 17.61 2.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.396 0.679 . . . . 0.0 109.46 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -142.35 6.94 1.73 Allowed 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.94 0.496 . . . . 0.0 111.703 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.04 146.34 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.003 0.82 . . . . 0.0 110.783 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 61.9 m -140.99 152.95 45.33 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.0 mm -136.58 148.45 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -144.33 143.51 31.01 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.882 0.372 . . . . 0.0 110.108 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -97.77 93.43 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.24 -28.01 66.85 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.662 -170.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.93 -178.39 44.19 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.334 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . 0.41 HG11 HG11 ' C' ' 8' ' ' VAL . 11.4 p -137.17 146.13 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.485 0.714 . . . . 0.0 109.654 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -147.89 71.61 1.19 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.561 1.144 . . . . 0.0 108.458 -177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.58 -137.89 26.6 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -66.0 -18.01 65.06 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.584 -0.722 . . . . 0.0 110.783 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.4 149.34 26.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 119.075 0.852 . . . . 0.0 109.253 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.6 t -143.4 129.8 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -97.26 130.37 44.47 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -129.87 147.17 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 O-C-N 123.446 0.466 . . . . 0.0 109.906 -170.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.01 150.41 18.63 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 66.7 mt -137.45 144.43 31.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -144.18 105.98 4.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -176.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.28 158.66 34.41 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.576 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.65 153.01 79.5 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.767 2.311 . . . . 0.0 110.702 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -69.61 -2.04 10.52 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.221 -0.299 . . . . 0.0 110.545 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.1 -7.8 44.35 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.909 0.883 . . . . 0.0 110.546 172.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -136.86 169.62 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.25 157.59 26.75 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 122.21 -0.306 . . . . 0.0 111.822 -173.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 m -148.68 131.35 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 N-CA-C 108.336 -0.986 . . . . 0.0 108.336 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -158.03 166.8 31.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.52 0.676 . . . . 0.0 112.71 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.488 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 52.1 ttt180 -63.63 146.84 53.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.577 -1.192 . . . . 0.0 107.976 169.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -57.76 -23.85 54.21 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . 0.488 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 13.0 tp10 -72.93 -45.06 60.19 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.072 -0.392 . . . . 0.0 110.361 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 mm -72.28 -30.48 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 C-N-CA 122.866 0.467 . . . . 0.0 110.406 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.7 t80 . . . . . 0 N--CA 1.449 -0.515 0 C-N-CA 124.154 0.982 . . . . 0.0 111.718 -176.654 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 mmm . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.151 0.5 . . . . 0.0 111.512 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -135.67 111.91 9.74 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 169.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.38 151.22 9.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 C-N-CA 123.663 0.785 . . . . 0.0 110.255 -171.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -149.68 175.55 11.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.237 1.015 . . . . 0.0 111.508 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -129.28 117.45 20.7 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 168.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -112.51 164.47 13.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -120.17 158.2 27.45 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.367 0.604 . . . . 0.0 110.168 171.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -53.24 129.73 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.897 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.91 8.79 58.93 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.605 -0.553 . . . . 0.0 112.549 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -118.03 -179.26 3.71 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 117.886 0.843 . . . . 0.0 110.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.8 m -139.79 170.54 15.69 Favored 'General case' 0 C--N 1.339 0.145 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -171.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.9 mt -143.23 165.62 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 126.163 1.785 . . . . 0.0 107.07 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -137.46 154.39 49.92 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.507 -0.746 . . . . 0.0 112.002 -175.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.22 139.77 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.063 0.945 . . . . 0.0 108.537 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.92 -134.2 40.27 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -137.52 17.73 2.91 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.467 0.707 . . . . 0.0 109.266 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -140.32 6.75 2.14 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.723 0.409 . . . . 0.0 111.526 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -132.55 147.14 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 CA-C-N 118.643 0.656 . . . . 0.0 110.552 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -139.84 153.54 47.09 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.5 mm -133.58 149.37 30.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -176.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m -141.21 154.16 45.67 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -117.91 86.74 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -66.46 -25.54 66.77 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -169.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.2 -177.07 41.35 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.714 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.4 m -129.34 162.11 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-O 121.214 0.53 . . . . 0.0 110.283 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -150.61 67.46 0.95 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 176.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.35 -134.55 21.29 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -65.76 -17.11 64.39 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.78 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.11 149.89 25.23 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.4 t -142.45 128.95 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -92.8 127.48 38.32 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -126.77 155.17 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -171.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.73 152.19 18.41 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.1 mt -141.08 143.15 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -143.89 102.55 3.91 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.18 159.23 33.15 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.679 0.792 . . . . 0.0 109.685 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.94 152.26 81.62 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.152 2.568 . . . . 0.0 110.977 175.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -65.13 -5.42 6.63 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 121.989 -0.444 . . . . 0.0 110.663 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.6 -6.46 15.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.865 0.866 . . . . 0.0 110.912 174.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -136.08 161.26 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.74 153.4 30.37 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 122.172 -0.33 . . . . 0.0 110.706 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.3 m -144.08 131.14 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -157.72 159.76 37.2 Favored 'General case' 0 N--CA 1.461 0.12 0 O-C-N 122.187 -0.321 . . . . 0.0 110.312 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -61.44 149.61 38.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 170.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.51 -24.35 65.25 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -171.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -73.46 -42.9 61.36 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.769 -0.582 . . . . 0.0 110.274 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mp -71.52 -28.23 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 122.916 0.486 . . . . 0.0 109.697 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.1 t80 . . . . . 0 N--CA 1.451 -0.405 0 C-N-CA 122.298 0.239 . . . . 0.0 111.053 -179.215 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 119.547 -0.263 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -128.93 115.09 17.3 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -114.17 137.02 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.629 0.772 . . . . 0.0 109.395 -172.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.8 175.24 12.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.732 175.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -115.13 151.4 34.41 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.476 0.655 . . . . 0.0 111.54 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -145.51 166.15 26.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.953 1.701 . . . . 0.0 106.865 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -117.36 161.3 19.76 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.421 HG12 HG12 ' C' ' 25' ' ' VAL . 29.6 m -49.13 129.03 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.681 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.61 9.81 59.69 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.939 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -116.28 174.11 6.23 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.456 1.128 . . . . 0.0 110.361 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 52.6 m -138.34 170.49 15.93 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -169.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 44.4 mt -143.99 166.94 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 125.974 1.71 . . . . 0.0 107.005 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -138.08 150.73 47.16 Favored 'General case' 0 C--N 1.334 -0.093 0 O-C-N 121.71 -0.619 . . . . 0.0 111.063 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -147.4 143.27 19.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 123.459 0.704 . . . . 0.0 110.3 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.5 12.17 8.69 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.148 0.88 . . . . 0.0 114.975 171.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.5 t0 56.09 13.13 1.09 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -141.39 5.33 1.84 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.253 0.621 . . . . 0.0 110.694 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.22 148.15 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.8 m -138.11 152.38 48.7 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.2 mm -133.28 148.16 31.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.5 m -145.87 127.35 15.04 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -79.42 93.53 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.35 -27.44 67.13 Favored 'General case' 0 N--CA 1.458 -0.073 0 O-C-N 122.295 -0.253 . . . . 0.0 111.589 -172.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.25 179.42 41.75 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . 0.421 HG12 HG12 ' C' ' 8' ' ' VAL . 11.4 p -134.47 145.15 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -147.84 72.18 1.22 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.45 -139.57 30.71 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -66.57 -16.81 64.44 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.09 -0.481 . . . . 0.0 111.174 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.84 147.02 27.02 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.83 123.21 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -89.63 130.51 35.91 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.51 149.05 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -171.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.2 152.96 17.75 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -138.62 144.45 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -144.22 106.03 4.31 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.77 158.07 40.1 Favored Pre-proline 0 CA--C 1.531 0.231 0 C-N-CA 123.592 0.757 . . . . 0.0 109.516 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.25 150.88 81.62 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.644 2.229 . . . . 0.0 110.117 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -67.49 -2.38 6.38 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.169 -0.332 . . . . 0.0 110.965 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.59 -7.89 42.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.592 0.757 . . . . 0.0 110.566 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -136.99 168.77 21.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.8 155.03 28.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 122.358 -0.214 . . . . 0.0 111.362 -173.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.4 m -146.33 130.45 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -155.53 159.61 39.86 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.163 0.506 . . . . 0.0 111.254 175.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -62.7 147.87 48.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 171.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -59.71 -23.82 63.46 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -78.37 -24.5 46.35 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 122.03 -0.419 . . . . 0.0 111.025 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.36 -33.72 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.068 0 C-N-CA 123.15 0.58 . . . . 0.0 109.466 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 78.0 t80 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 123.361 0.664 . . . . 0.0 111.295 -178.258 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.414 ' HG3' ' N ' ' A' ' 2' ' ' LEU . 13.0 tpp . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.466 0.175 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.7 tm? -126.06 107.09 10.09 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 171.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -100.74 144.37 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.182 0.993 . . . . 0.0 110.249 -175.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pp -163.67 175.69 10.35 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.584 0.754 . . . . 0.0 110.846 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.9 p -117.15 156.47 27.58 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 121.523 0.678 . . . . 0.0 111.218 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.89 164.23 32.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.341 1.456 . . . . 0.0 108.005 172.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -106.58 153.36 22.46 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.3 m -57.92 114.77 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.05 9.41 15.89 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.356 -0.691 . . . . 0.0 112.696 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -118.63 -179.53 3.83 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.278 1.039 . . . . 0.0 110.747 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -139.82 172.04 13.35 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -169.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.7 mt -152.52 167.48 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 126.742 2.017 . . . . 0.0 107.311 -172.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -143.39 154.71 44.0 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.154 0.502 . . . . 0.0 111.789 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.8 mt -139.26 143.61 30.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.86 -134.78 43.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -176.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -137.39 17.88 2.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -141.68 7.96 1.92 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.585 0.754 . . . . 0.0 111.526 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.48 147.12 33.16 Favored 'Isoleucine or valine' 0 C--N 1.339 0.144 0 CA-C-N 118.664 0.665 . . . . 0.0 110.166 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 m -140.77 153.96 46.07 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.256 1.022 . . . . 0.0 108.608 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -137.81 146.57 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 m -141.19 128.22 20.72 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -81.0 98.1 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.25 -24.08 60.42 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.11 -172.64 40.8 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.316 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.2 146.05 21.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.866 0.866 . . . . 0.0 110.586 -173.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 m -150.85 99.81 2.75 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.131 0.972 . . . . 0.0 108.882 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.51 -126.62 38.04 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 -175.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -89.82 -9.6 48.54 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 117.783 0.791 . . . . 0.0 109.386 175.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -74.18 151.45 40.0 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.3 t -146.8 114.73 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -86.57 129.31 34.91 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.49 HD12 HH22 ' C' ' 6' ' ' ARG . 1.3 mt -136.55 150.04 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.87 156.31 15.74 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.9 mt -135.71 144.31 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -142.09 109.81 5.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.35 159.94 32.66 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.615 0.766 . . . . 0.0 109.121 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.1 153.31 78.62 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.903 2.402 . . . . 0.0 110.254 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -70.4 -1.29 10.24 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.057 -0.402 . . . . 0.0 110.569 176.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.1 -7.19 33.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.669 0.788 . . . . 0.0 110.758 171.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -137.24 169.27 19.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.079 0.952 . . . . 0.0 108.487 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.86 160.63 28.34 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.029 -0.419 . . . . 0.0 112.071 -172.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -145.81 133.95 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -156.5 164.1 38.63 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 122.104 -0.372 . . . . 0.0 110.345 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -68.15 153.44 43.73 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 172.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -57.7 -23.91 54.07 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.94 -44.16 55.86 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.276 0.489 . . . . 0.0 110.386 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -72.58 -31.21 36.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 121.145 0.497 . . . . 0.0 109.99 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 N--CA 1.45 -0.443 0 C-N-CA 123.603 0.761 . . . . 0.0 111.825 -177.149 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.418 ' HG2' ' CD1' ' C' ' 3' ' ' ILE . 9.0 tpp . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.777 -0.083 . . . . 0.0 110.777 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -119.53 106.0 11.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 169.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.418 ' CD1' ' HG2' ' C' ' 1' ' ' MET . 4.9 mp -91.3 149.98 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 24.4 mt -143.2 168.41 19.83 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -145.12 112.18 6.0 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.49 HH22 HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -141.27 164.82 29.21 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.436 174.692 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -105.02 176.65 5.09 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -169.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 21.7 m -53.62 142.24 7.18 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.668 -175.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.66 -16.48 57.96 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.388 -0.673 . . . . 0.0 112.943 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -75.7 176.95 7.22 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.624 1.212 . . . . 0.0 111.164 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.7 m -144.4 159.49 42.64 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.313 0.645 . . . . 0.0 110.441 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 mm -143.68 164.88 14.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.025 1.33 . . . . 0.0 107.836 -176.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -140.07 154.53 47.09 Favored 'General case' 0 N--CA 1.457 -0.082 0 O-C-N 121.644 -0.66 . . . . 0.0 112.189 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -139.99 145.63 26.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 124.45 1.1 . . . . 0.0 108.787 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.38 -137.39 41.96 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -134.96 16.33 3.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.083 0.553 . . . . 0.0 109.915 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -142.67 9.55 1.78 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.755 0.822 . . . . 0.0 111.97 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.56 146.65 33.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 118.939 0.79 . . . . 0.0 110.866 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 60.5 m -138.47 154.71 48.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.189 0.996 . . . . 0.0 108.407 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.9 mm -136.52 147.07 27.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -141.34 137.74 32.59 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.457 HG21 ' HE ' ' C' ' 6' ' ' ARG . 2.4 tp -93.65 94.78 4.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.05 -24.89 61.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.834 -169.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.45 179.18 41.16 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.451 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 p -134.47 148.58 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.009 0.524 . . . . 0.0 109.616 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 63.0 m -146.02 67.0 1.2 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.363 1.065 . . . . 0.0 108.466 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.61 -137.16 25.48 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -65.71 -12.5 54.23 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 118.788 -0.625 . . . . 0.0 111.357 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -97.42 148.47 23.16 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 119.124 0.875 . . . . 0.0 109.45 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 26.7 t -135.59 142.68 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -109.37 127.59 54.46 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.27 154.25 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -170.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.45 154.54 20.05 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 1' ' ' MET . 70.0 mt -136.1 144.93 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -178.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -140.32 108.69 5.83 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.05 160.16 31.3 Favored Pre-proline 0 N--CA 1.451 -0.413 0 C-N-CA 123.596 0.758 . . . . 0.0 109.351 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -65.39 156.24 64.42 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.756 2.304 . . . . 0.0 110.834 175.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -68.53 -0.53 5.18 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-O 121.156 0.503 . . . . 0.0 110.149 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -66.41 -12.58 57.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.708 1.203 . . . . 0.0 110.133 172.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -138.59 169.44 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.845 1.258 . . . . 0.0 108.396 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.01 159.26 24.2 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.81 -0.557 . . . . 0.0 110.964 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.4 m -146.34 126.36 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -156.57 164.14 38.55 Favored 'General case' 0 CA--C 1.523 -0.069 0 O-C-N 122.299 -0.251 . . . . 0.0 110.328 175.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -64.96 156.74 30.21 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 171.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.77 -23.45 67.22 Favored 'General case' 0 C--N 1.333 -0.138 0 O-C-N 122.445 -0.159 . . . . 0.0 111.245 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.75 -47.22 63.83 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.824 0.345 . . . . 0.0 110.154 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.8 mm -72.94 -28.91 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 76.7 t80 . . . . . 0 N--CA 1.45 -0.441 0 C-N-CA 122.881 0.472 . . . . 0.0 110.667 179.824 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' A' ' 2' ' ' LEU . 14.8 tpp . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.893 -0.04 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.2 tm? -125.54 108.1 11.27 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 169.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -102.38 143.46 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.075 0 C-N-CA 123.583 0.753 . . . . 0.0 110.021 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.13 169.89 20.08 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.044 0.537 . . . . 0.0 110.674 174.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.6 p -105.42 157.93 17.0 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.454 0.645 . . . . 0.0 111.335 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -148.41 163.88 35.8 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 176.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -120.6 157.64 29.08 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.387 0.613 . . . . 0.0 110.009 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.4 m -53.4 127.1 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.247 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.93 8.57 53.94 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 119.532 -0.593 . . . . 0.0 112.843 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -118.58 -176.74 3.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.163 0.982 . . . . 0.0 110.189 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.1 m -140.39 168.11 20.57 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -172.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mm -141.33 162.98 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 126.627 1.971 . . . . 0.0 106.699 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -139.15 154.85 48.15 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.971 0.805 . . . . 0.0 112.284 -177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.7 mt -140.42 145.49 25.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 124.054 0.942 . . . . 0.0 108.654 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.7 -139.26 32.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -132.77 16.57 4.29 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.359 0.663 . . . . 0.0 110.065 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -142.06 8.85 1.88 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.812 0.845 . . . . 0.0 111.689 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.54 146.48 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 119.021 0.828 . . . . 0.0 110.797 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -139.86 155.74 47.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -137.54 146.4 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -136.33 150.17 48.74 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -110.81 91.26 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.23 -26.2 63.74 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.496 -168.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.91 -177.86 39.55 Favored Glycine 0 C--N 1.336 0.583 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.633 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 m -124.95 161.32 28.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.262 0.554 . . . . 0.0 110.534 176.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 m -151.19 63.93 0.9 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.94 -133.32 20.55 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.5 -18.59 65.43 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.118 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -86.87 148.77 25.22 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.0 t -140.23 129.0 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -90.95 129.99 36.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -134.42 155.25 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -170.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 156.69 21.76 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.4 mt -138.13 145.76 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -178.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -142.24 110.54 6.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.69 158.75 33.11 Favored Pre-proline 0 N--CA 1.452 -0.368 0 C-N-CA 123.614 0.765 . . . . 0.0 109.35 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.56 150.49 86.55 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.207 2.605 . . . . 0.0 110.406 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -64.45 -5.0 4.49 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 122.368 -0.207 . . . . 0.0 110.588 175.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -66.15 -7.04 15.54 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.393 0.677 . . . . 0.0 110.742 173.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -137.33 167.46 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.32 159.34 27.63 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.951 -0.468 . . . . 0.0 111.144 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.05 131.76 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -156.03 160.16 39.77 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.7 ptt85 -68.79 156.4 38.41 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 172.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.0 -24.11 56.87 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -169.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.49 -40.64 66.76 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.397 -0.814 . . . . 0.0 110.992 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.64 -31.34 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.1 t80 . . . . . 0 N--CA 1.453 -0.286 0 C-N-CA 122.683 0.393 . . . . 0.0 111.501 -176.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.427 ' HG2' ' CD1' ' C' ' 3' ' ' ILE . 6.8 tpp . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 110.767 -0.086 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -124.96 108.05 11.47 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 172.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.427 ' CD1' ' HG2' ' C' ' 1' ' ' MET . 4.4 mp -96.54 151.25 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.728 1.211 . . . . 0.0 110.083 -172.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 38.4 mt -147.36 173.05 12.97 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.595 1.158 . . . . 0.0 111.268 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p -129.46 120.19 25.03 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 167.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -125.81 132.2 52.3 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -81.24 156.85 25.4 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.522 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.413 HG12 HG12 ' C' ' 25' ' ' VAL . 17.2 m -55.24 129.82 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.701 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.96 2.5 58.25 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.31 -0.717 . . . . 0.0 112.918 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -110.55 179.7 4.0 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.517 1.158 . . . . 0.0 110.752 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.8 m -137.81 171.49 14.35 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -170.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -152.9 166.28 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 127.015 2.126 . . . . 0.0 107.4 -170.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -142.39 154.73 44.87 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -140.33 145.72 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 114.662 -1.153 . . . . 0.0 108.611 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.97 -138.57 42.16 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -133.91 15.77 3.91 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.032 0.533 . . . . 0.0 110.048 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -142.23 9.74 1.88 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.553 0.741 . . . . 0.0 111.595 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.0 146.82 32.98 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.952 0.796 . . . . 0.0 110.889 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 40.7 m -136.04 153.44 51.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -137.4 147.42 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.9 m -140.7 148.1 40.26 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -107.43 85.57 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.5 mt -63.47 -25.23 68.17 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -167.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.27 -174.84 44.34 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.218 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . 0.413 HG12 HG12 ' C' ' 8' ' ' VAL . 7.9 p -141.59 142.81 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.166 0.986 . . . . 0.0 109.292 -175.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.6 m -148.44 70.51 1.13 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.935 0.894 . . . . 0.0 108.616 -175.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.77 -138.76 28.98 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 108.801 -1.72 . . . . 0.0 108.801 -175.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.49 -16.49 64.16 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 118.808 -0.615 . . . . 0.0 110.973 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.64 149.36 25.38 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 52.9 t -141.5 142.51 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -111.39 128.88 56.11 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.6 154.94 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.81 -169.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.35 154.94 21.45 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.0 mt -136.45 144.7 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -138.89 106.72 5.65 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.11 160.93 30.73 Favored Pre-proline 0 N--CA 1.452 -0.357 0 C-N-CA 123.702 0.801 . . . . 0.0 109.426 -177.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -65.35 155.55 68.06 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.952 2.435 . . . . 0.0 110.601 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -68.05 -0.53 4.57 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 122.116 -0.365 . . . . 0.0 110.244 172.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.26 -11.71 51.98 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.434 1.094 . . . . 0.0 110.199 173.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -138.53 169.34 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.681 1.192 . . . . 0.0 108.258 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.51 158.83 26.43 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.172 -0.33 . . . . 0.0 111.065 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.1 m -146.13 130.22 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.074 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -157.98 171.0 21.04 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 122.112 -0.368 . . . . 0.0 110.531 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -68.1 156.92 36.41 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 170.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -59.69 -25.31 64.66 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.046 0.451 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.72 -48.21 55.73 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.353 0.661 . . . . 0.0 111.06 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -74.63 -27.14 20.51 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.13 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -176.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.2 t80 . . . . . 0 N--CA 1.451 -0.381 0 C-N-CA 123.578 0.751 . . . . 0.0 111.752 -178.494 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.434 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 8.0 tpp . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 120.499 0.19 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.0 tm? -128.28 109.97 11.96 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 171.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.424 ' CD1' ' HG2' ' A' ' 1' ' ' MET . 4.9 mp -104.16 144.25 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.242 1.017 . . . . 0.0 110.094 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -162.1 -178.73 6.58 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.142 0.577 . . . . 0.0 110.216 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -119.28 155.39 31.88 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.946 0.879 . . . . 0.0 111.053 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -148.82 163.85 36.17 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -134.75 166.57 22.65 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 119.582 1.083 . . . . 0.0 110.984 169.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -47.16 133.5 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 123.731 0.644 . . . . 0.0 112.462 -171.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.6 0.24 72.95 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.285 -0.73 . . . . 0.0 113.519 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -103.16 -178.61 3.71 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.493 1.147 . . . . 0.0 110.242 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -140.16 168.05 20.7 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -174.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.2 mt -143.83 162.82 15.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 125.923 1.689 . . . . 0.0 107.432 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -137.59 155.9 48.68 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.462 0.649 . . . . 0.0 111.443 -176.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.1 mt -142.88 140.8 27.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.395 1.078 . . . . 0.0 108.921 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.26 -135.51 44.18 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -177.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -136.5 16.28 3.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.183 0.593 . . . . 0.0 110.267 176.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -139.61 6.85 2.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.272 0.629 . . . . 0.0 111.573 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -129.62 146.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 CA-C-N 118.822 0.737 . . . . 0.0 110.368 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.8 m -138.81 154.86 48.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.0 mm -137.65 149.7 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -141.82 151.97 43.27 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -111.09 86.09 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.08 -25.9 68.0 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.381 -169.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.12 179.22 41.55 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.585 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.3 p -135.01 146.31 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -145.65 71.65 1.28 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.489 1.116 . . . . 0.0 108.168 -176.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.32 -136.7 23.95 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -175.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -67.67 -14.27 62.8 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.797 -0.621 . . . . 0.0 111.086 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.401 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 2.9 tp-100 -85.37 148.73 25.87 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.862 0.755 . . . . 0.0 109.533 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.4 t -142.09 126.09 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.0 ttm-85 -95.22 131.35 41.37 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -130.28 149.96 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.76 -169.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.36 148.93 18.87 Favored Glycine 0 C--N 1.332 0.345 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -137.62 143.82 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -144.55 104.87 4.1 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.58 159.18 36.84 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.311 0.644 . . . . 0.0 109.849 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.01 152.8 79.63 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.776 2.317 . . . . 0.0 110.592 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -69.4 -1.89 9.56 Favored 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.066 -0.396 . . . . 0.0 110.772 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -69.42 -7.59 39.09 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.812 0.845 . . . . 0.0 110.763 172.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.33 169.03 20.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.03 155.38 23.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.119 -0.363 . . . . 0.0 111.052 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -145.94 124.39 4.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.041 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -157.8 170.27 22.74 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 122.14 -0.35 . . . . 0.0 110.124 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.4 ptt85 -83.08 159.18 22.18 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -54.53 -32.79 58.87 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -169.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.79 -28.06 63.36 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.974 -0.454 . . . . 0.0 112.048 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -87.55 -27.68 5.67 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.3 t80 . . . . . 0 N--CA 1.452 -0.374 0 C-N-CA 123.028 0.531 . . . . 0.0 111.874 -178.231 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 35.3 mmm . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 120.929 0.395 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -135.74 114.63 12.1 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 167.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.32 142.11 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.212 -172.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.1 174.84 12.41 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.065 0.546 . . . . 0.0 110.882 176.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.8 p -116.25 156.88 25.8 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.764 0.793 . . . . 0.0 111.071 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.418 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.5 OUTLIER -146.03 164.89 30.66 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.399 1.48 . . . . 0.0 107.741 175.009 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.401 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 42.6 mtmt -116.18 165.15 13.48 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.561 172.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.9 m -58.12 131.91 22.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.465 -175.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.55 -13.52 61.14 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.637 0.637 . . . . 0.0 111.921 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -86.2 179.56 6.9 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.051 0.925 . . . . 0.0 110.921 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.6 m -140.18 168.33 20.06 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.519 0.676 . . . . 0.0 112.553 -175.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mm -140.09 161.47 25.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 126.492 1.917 . . . . 0.0 106.943 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -138.3 154.1 49.01 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 121.747 -0.596 . . . . 0.0 111.607 -177.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -142.27 143.8 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.57 -138.83 36.43 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -133.4 16.42 4.05 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.292 0.637 . . . . 0.0 110.263 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -141.76 8.45 1.92 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.696 0.798 . . . . 0.0 111.833 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.57 145.1 36.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 CA-C-N 119.044 0.838 . . . . 0.0 110.873 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 76.2 m -140.84 155.54 46.32 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.31 1.044 . . . . 0.0 108.588 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 mm -137.35 147.45 26.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -140.43 128.95 22.76 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.985 0.357 . . . . 0.0 110.285 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -82.82 96.9 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.97 -26.73 62.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -171.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.78 -176.6 40.57 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.49 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -128.48 161.49 37.08 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.332 0.587 . . . . 0.0 110.66 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.0 m -151.32 72.14 1.03 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.81 -136.63 23.21 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 -174.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.53 -20.36 66.31 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.2 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -76.65 150.08 36.42 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.88 119.23 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -89.58 131.87 35.38 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -135.22 152.26 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -172.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.67 157.0 18.88 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 1' ' ' MET . 66.0 mt -138.9 144.93 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -176.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -141.62 108.04 5.29 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.4 159.17 33.06 Favored Pre-proline 0 N--CA 1.451 -0.401 0 C-N-CA 123.883 0.873 . . . . 0.0 108.824 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.51 151.69 84.11 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 122.623 2.215 . . . . 0.0 110.339 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -68.3 -2.05 7.52 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.226 -0.296 . . . . 0.0 110.376 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.27 -7.17 34.51 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.114 0.966 . . . . 0.0 110.663 172.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.89 168.46 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.946 0.898 . . . . 0.0 108.595 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.63 156.32 26.06 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 122.327 -0.233 . . . . 0.0 111.317 -174.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.3 m -144.79 125.99 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.068 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -159.2 164.17 35.33 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.88 0.372 . . . . 0.0 110.854 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -66.14 159.65 25.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -57.35 -32.52 66.84 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.406 0.283 . . . . 0.0 111.433 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -69.64 -45.69 67.88 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 120.368 0.128 . . . . 0.0 111.238 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.2 -30.87 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.6 t80 . . . . . 0 CA--C 1.529 0.152 0 C-N-CA 123.715 0.806 . . . . 0.0 111.94 -178.805 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ttp . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.45 128.16 52.91 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -130.67 141.69 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 C-N-CA 123.43 0.692 . . . . 0.0 109.71 -171.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.24 169.69 21.71 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.504 176.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 p -108.56 153.03 23.94 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.252 0.549 . . . . 0.0 110.254 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -144.35 164.83 29.66 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.142 1.377 . . . . 0.0 107.891 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' C' ' 29' ' ' GLN . 40.3 mtmt -119.69 160.66 22.1 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 120.728 0.299 . . . . 0.0 110.774 176.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.2 m -55.45 121.66 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.537 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.67 -17.97 27.5 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.771 0.7 . . . . 0.0 112.492 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.59 175.86 10.15 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 118.438 1.119 . . . . 0.0 111.22 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -138.85 168.74 19.16 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 121.55 0.69 . . . . 0.0 111.666 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.418 HG21 ' H ' ' A' ' 13' ' ' ASN . 14.0 mt -143.51 169.67 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 C-N-CA 125.309 1.444 . . . . 0.0 107.238 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.418 ' H ' HG21 ' A' ' 12' ' ' ILE . 12.5 t-20 -140.81 150.91 43.92 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 118.179 0.445 . . . . 0.0 110.801 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -146.0 142.73 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 123.395 0.678 . . . . 0.0 110.45 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.15 12.98 8.5 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-O 119.229 -0.762 . . . . 0.0 114.83 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.3 t70 58.33 10.67 1.37 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -139.72 5.21 2.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.323 0.649 . . . . 0.0 110.711 176.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.03 146.17 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 m -136.62 151.06 48.91 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -133.07 149.33 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -144.23 124.28 13.61 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -77.46 95.29 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.82 -28.0 65.34 Favored 'General case' 0 C--O 1.23 0.073 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -172.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.23 -176.9 40.82 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.512 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -128.73 161.89 36.82 Favored 'Isoleucine or valine' 0 C--O 1.23 0.073 0 CA-C-O 121.396 0.617 . . . . 0.0 110.306 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.0 m -151.3 74.66 1.15 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.17 -140.17 29.36 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 108.191 -1.964 . . . . 0.0 108.191 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -67.48 -12.28 59.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 117.615 0.707 . . . . 0.0 111.762 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.95 149.36 30.86 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -141.46 120.48 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -90.84 133.75 34.98 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.16 151.72 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -172.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.93 148.09 18.36 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -137.85 144.54 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -143.14 103.99 4.22 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -176.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.36 158.76 43.46 Favored Pre-proline 0 C--O 1.233 0.235 0 C-N-CA 123.989 0.916 . . . . 0.0 109.895 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.77 151.78 81.83 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.97 2.446 . . . . 0.0 110.308 174.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -69.48 -1.48 8.69 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.789 -0.57 . . . . 0.0 110.575 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.49 -10.74 57.52 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.895 0.878 . . . . 0.0 110.504 171.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.6 m -133.42 168.86 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.87 160.66 29.31 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.157 -0.339 . . . . 0.0 111.59 -173.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 m -144.93 129.65 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -157.68 165.35 35.69 Favored 'General case' 0 C--N 1.339 0.121 0 O-C-N 121.813 -0.555 . . . . 0.0 110.289 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -59.94 152.85 22.6 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 171.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -60.91 -31.46 70.97 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 122.031 -0.418 . . . . 0.0 110.796 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -78.75 -20.58 49.58 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.4 mm -90.49 -26.37 5.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.137 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.6 t80 . . . . . 0 N--CA 1.453 -0.286 0 C-N-CA 123.953 0.901 . . . . 0.0 111.225 -179.61 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mmm . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.29 112.69 10.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 168.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -101.7 150.92 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . 0.532 HD11 ' H ' ' C' ' 5' ' ' THR . 0.2 OUTLIER -155.74 162.54 40.51 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.933 0.493 . . . . 0.0 109.679 -172.182 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.532 ' H ' HD11 ' C' ' 4' ' ' LEU . 2.0 p -126.86 146.06 50.42 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 123.095 0.558 . . . . 0.0 110.135 171.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.425 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -143.66 169.02 18.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 174.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -118.84 161.79 19.57 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -55.22 129.12 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.939 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.04 -12.97 59.01 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 123.651 0.643 . . . . 0.0 112.649 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -88.04 175.34 7.8 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 118.218 1.009 . . . . 0.0 111.079 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -140.86 168.11 20.58 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -173.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.0 mt -142.3 165.53 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 126.43 1.892 . . . . 0.0 106.877 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -134.58 154.06 51.66 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 118.398 0.545 . . . . 0.0 110.376 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -139.94 143.98 29.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 123.888 0.875 . . . . 0.0 109.082 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.49 -131.31 51.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -136.98 10.6 3.07 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -145.13 10.32 1.3 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.338 0.655 . . . . 0.0 112.006 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.73 146.28 34.39 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 CA-C-N 118.963 0.802 . . . . 0.0 110.212 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -137.89 155.97 48.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -136.29 146.22 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.1 m -144.84 130.64 19.13 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.931 0.396 . . . . 0.0 110.169 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -82.98 95.16 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.01 -25.74 63.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -172.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.34 -179.95 40.06 Favored Glycine 0 CA--C 1.525 0.705 0 O-C-N 122.143 -0.348 . . . . 0.0 112.322 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 17.1 m -131.57 163.93 35.88 Favored 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.382 0.611 . . . . 0.0 110.647 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -151.23 67.81 0.92 Allowed 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.1 -133.8 15.71 Favored Glycine 0 C--N 1.336 0.551 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -65.66 -15.49 62.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 119.028 -0.511 . . . . 0.0 110.77 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.425 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 2.8 tp-100 -86.19 146.89 26.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 118.626 0.648 . . . . 0.0 109.314 177.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -141.88 125.05 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 ttm-85 -95.05 129.08 42.28 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.67 154.66 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -171.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.35 149.52 17.49 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -135.19 137.75 49.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -137.19 104.86 5.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -172.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.73 161.98 29.76 Favored Pre-proline 0 C--O 1.234 0.264 0 C-N-CA 123.973 0.909 . . . . 0.0 109.867 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.09 153.83 76.4 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.912 2.408 . . . . 0.0 110.424 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -71.12 -1.02 10.97 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.857 -0.527 . . . . 0.0 110.297 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.29 -6.27 28.36 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.996 0.918 . . . . 0.0 110.498 171.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -136.43 168.14 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 124.005 0.922 . . . . 0.0 108.527 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.99 159.14 28.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 122.221 -0.299 . . . . 0.0 111.276 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -145.24 131.23 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -159.97 167.49 27.85 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.206 0.457 . . . . 0.0 111.644 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -60.44 152.18 26.27 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 169.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.32 -24.98 65.44 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.213 -0.305 . . . . 0.0 111.491 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -75.14 -48.42 23.79 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.939 -0.476 . . . . 0.0 110.727 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.93 -25.97 38.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 34.6 t80 . . . . . 0 N--CA 1.45 -0.453 0 C-N-CA 122.823 0.449 . . . . 0.0 109.892 177.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.428 ' HE2' ' HA3' ' C' ' 33' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 119.8 -0.143 . . . . 0.0 111.049 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -129.37 113.12 14.56 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -111.5 137.48 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.813 0.845 . . . . 0.0 109.227 -172.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -160.69 175.67 12.38 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.56 0.344 . . . . 0.0 111.019 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 p -117.65 152.41 35.24 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.308 0.575 . . . . 0.0 111.821 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.88 167.82 21.41 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 126.497 1.919 . . . . 0.0 107.055 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -119.81 161.89 20.02 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.2 m -57.82 133.08 22.7 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.568 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.35 5.66 59.08 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 119.436 -0.647 . . . . 0.0 112.265 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -111.34 176.52 4.99 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.363 1.081 . . . . 0.0 110.895 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.5 m -136.96 169.05 18.42 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.15 167.73 11.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 125.785 1.634 . . . . 0.0 107.559 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -141.82 154.15 45.0 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.184 0.516 . . . . 0.0 111.065 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -140.0 139.04 37.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.66 -131.19 46.8 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.306 -1.517 . . . . 0.0 109.306 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -140.64 19.06 2.35 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.391 0.676 . . . . 0.0 109.203 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -141.17 6.27 1.94 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.125 0.57 . . . . 0.0 111.771 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.63 145.81 34.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.173 0 CA-C-N 118.528 0.604 . . . . 0.0 110.512 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.7 m -139.92 152.32 46.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 mm -136.6 149.37 26.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.7 m -144.25 128.02 17.26 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -80.13 95.08 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.77 -27.95 65.35 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.77 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.02 -176.43 39.28 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.148 -0.549 . . . . 0.0 112.803 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.2 m -133.19 162.4 39.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 121.099 0.476 . . . . 0.0 111.254 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -150.52 75.79 1.23 Allowed 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.4 -107.85 3.14 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.415 HE21 ' CG2' ' C' ' 8' ' ' VAL . 14.5 mm100 -95.96 -12.22 25.38 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 172.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -71.57 153.71 41.96 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.324 0.583 . . . . 0.0 109.74 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 t -146.49 104.64 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm-85 -78.96 133.89 36.85 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -132.16 148.05 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.35 149.41 18.59 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -138.63 144.82 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -144.4 104.01 4.03 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -176.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.3 157.76 33.76 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.153 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.61 151.45 82.76 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.612 2.875 . . . . 0.0 111.028 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -64.74 -6.13 7.32 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.834 -0.541 . . . . 0.0 111.019 175.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.83 -7.18 19.72 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.542 0.737 . . . . 0.0 110.523 174.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.16 166.64 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.99 154.45 38.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.898 -0.501 . . . . 0.0 110.957 -174.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.79 124.84 7.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 O-C-N 123.318 0.386 . . . . 0.0 110.047 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -157.32 159.78 37.85 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.888 -0.508 . . . . 0.0 110.729 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -64.47 151.08 45.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -57.27 -30.04 64.35 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -70.44 -41.1 73.3 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 121.914 -0.491 . . . . 0.0 111.038 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -73.22 -26.88 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 N--CA 1.448 -0.528 0 C-N-CA 123.493 0.717 . . . . 0.0 110.806 179.549 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mmm . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 120.737 0.303 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -135.55 113.13 10.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 169.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.38 143.03 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 123.247 0.619 . . . . 0.0 109.453 -174.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -160.72 172.33 17.26 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.131 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -108.76 154.62 21.79 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.895 0.855 . . . . 0.0 110.432 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.509 HH21 HG22 ' C' ' 22' ' ' ILE . 3.7 mtp180 -149.38 -178.76 6.59 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 114.332 -1.304 . . . . 0.0 108.457 171.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -145.65 168.28 21.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.708 175.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.415 ' CG2' HE21 ' A' ' 28' ' ' GLN . 15.6 m -53.59 127.82 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-O 121.009 0.433 . . . . 0.0 111.694 -172.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.72 -16.3 51.58 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 123.716 0.675 . . . . 0.0 113.271 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -82.47 178.05 8.42 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.156 0.978 . . . . 0.0 111.728 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 61.5 m -144.69 165.02 29.24 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.326 0.584 . . . . 0.0 112.266 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.421 ' CD1' HH11 ' C' ' 6' ' ' ARG . 37.2 mt -137.87 163.04 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 125.785 1.634 . . . . 0.0 108.223 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -131.95 147.16 52.45 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -143.81 141.37 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 122.934 0.494 . . . . 0.0 110.463 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.18 13.76 7.45 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 123.787 0.708 . . . . 0.0 114.348 172.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 t70 56.11 12.9 1.04 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.305 1.042 . . . . 0.0 113.756 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -139.63 5.86 2.23 Favored 'General case' 0 C--N 1.34 0.19 0 O-C-N 121.698 -0.626 . . . . 0.0 110.43 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.4 148.77 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -137.75 152.33 49.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.2 mm -132.14 148.87 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -142.01 151.35 42.39 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.509 HG22 HH21 ' C' ' 6' ' ' ARG . 3.1 tp -111.7 87.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.26 -24.66 67.38 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.61 -169.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.45 -176.26 37.12 Favored Glycine 0 C--N 1.338 0.685 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.505 174.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 13.1 m -127.23 163.74 29.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.055 0.455 . . . . 0.0 110.981 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -150.75 75.65 1.22 Allowed 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.49 -141.15 29.35 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 107.713 -2.155 . . . . 0.0 107.713 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -68.97 -11.66 60.94 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.961 175.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.52 149.02 31.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -141.27 122.84 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 -175.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 31.6 ttm-85 -90.8 125.14 35.62 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.88 154.14 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.361 -172.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.428 ' HA3' ' HE2' ' A' ' 1' ' ' MET . . . -122.34 151.83 16.88 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.2 mt -140.82 144.07 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -143.84 103.52 4.06 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -174.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.07 159.09 36.09 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.825 0.85 . . . . 0.0 109.801 -176.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.32 150.19 84.69 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.416 2.744 . . . . 0.0 110.351 173.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -64.7 -5.38 5.64 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.993 -0.442 . . . . 0.0 110.693 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -67.04 -7.21 21.02 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.618 0.767 . . . . 0.0 110.607 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.07 168.85 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.341 1.056 . . . . 0.0 108.517 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.51 155.81 32.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 122.269 -0.27 . . . . 0.0 111.342 -173.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 9.6 m -144.55 127.62 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.092 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -157.85 159.07 36.26 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -71.16 160.67 32.45 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.125 173.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -56.77 -23.47 43.3 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.518 0.727 . . . . 0.0 112.615 -175.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.36 -39.53 47.14 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.832 -0.543 . . . . 0.0 111.082 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.31 -33.0 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 t80 . . . . . 0 N--CA 1.453 -0.299 0 C-N-CA 123.042 0.537 . . . . 0.0 112.08 -175.699 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.429 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 9.9 tpp . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.533 0.206 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.41 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.9 tm? -128.54 106.15 8.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 172.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 1' ' ' MET . 5.0 mp -101.95 143.49 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.132 0.973 . . . . 0.0 110.535 -174.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.81 173.9 13.16 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.149 0.579 . . . . 0.0 110.453 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.3 p -113.94 156.32 24.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.069 0.461 . . . . 0.0 111.903 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.69 164.21 32.49 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.12 1.368 . . . . 0.0 108.535 170.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -107.52 160.82 15.37 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.7 m -59.95 128.82 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.522 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.86 10.01 53.28 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 119.344 -0.698 . . . . 0.0 112.903 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -116.48 174.58 5.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 118.416 1.108 . . . . 0.0 110.717 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -137.47 174.19 10.86 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -168.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -152.81 165.73 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 127.383 2.273 . . . . 0.0 106.579 -173.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -143.68 154.37 43.44 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 118.329 0.513 . . . . 0.0 112.237 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.2 mt -146.7 150.41 14.99 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 123.879 0.872 . . . . 0.0 110.017 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.27 13.81 7.72 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.545 1.069 . . . . 0.0 114.87 170.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 55.57 12.11 0.74 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.2 1.0 . . . . 0.0 113.533 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -142.18 9.86 1.9 Allowed 'General case' 0 C--N 1.34 0.192 0 C-N-CA 123.358 0.663 . . . . 0.0 110.772 175.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.95 150.3 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 121.302 0.573 . . . . 0.0 109.592 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.3 m -137.4 149.93 47.29 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 mm -133.03 147.53 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -146.14 128.23 15.61 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -78.72 96.49 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 174.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -70.23 -27.53 64.53 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.24 -0.287 . . . . 0.0 111.087 -173.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.87 -178.84 39.16 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.04 164.2 26.27 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 121.126 0.488 . . . . 0.0 110.838 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -151.28 73.08 1.08 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.32 -138.67 29.53 Favored Glycine 0 C--N 1.337 0.629 0 N-CA-C 108.881 -1.688 . . . . 0.0 108.881 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -67.45 -12.72 60.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.245 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.75 150.11 24.81 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 52.3 t -140.73 127.42 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -95.28 131.25 41.56 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.78 151.49 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -171.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.4 149.48 18.01 Favored Glycine 0 C--N 1.333 0.362 0 N-CA-C 108.516 -1.834 . . . . 0.0 108.516 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -138.56 143.87 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -144.22 104.46 4.11 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.165 0.507 . . . . 0.0 109.943 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.28 157.92 41.8 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 123.844 0.857 . . . . 0.0 108.727 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -61.97 146.42 96.32 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.175 1.917 . . . . 0.0 108.82 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -62.59 -8.41 6.4 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.023 0.44 . . . . 0.0 110.916 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.55 -6.5 15.28 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.427 1.891 . . . . 0.0 112.258 176.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -132.76 169.02 22.82 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.5 153.25 30.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 117.697 0.226 . . . . 0.0 111.507 -173.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 m -147.13 128.84 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -158.87 163.97 36.13 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 118.184 0.447 . . . . 0.0 110.035 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -64.91 155.77 33.2 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 171.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -57.32 -30.74 65.04 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.117 -0.365 . . . . 0.0 111.722 -176.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.57 -35.94 70.75 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 122.124 -0.36 . . . . 0.0 111.309 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -82.71 -30.46 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -176.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 63.6 t80 . . . . . 0 N--CA 1.452 -0.345 0 C-N-CA 123.803 0.841 . . . . 0.0 111.236 179.116 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mmm . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.731 0.301 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.61 113.66 11.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 169.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -112.02 141.85 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.07 0.948 . . . . 0.0 109.797 -172.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -163.25 176.12 10.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.926 0.49 . . . . 0.0 110.591 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 23.8 p -122.07 153.98 37.93 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.298 0.57 . . . . 0.0 111.188 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.411 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -147.7 168.08 23.01 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.721 1.608 . . . . 0.0 107.199 173.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -115.06 162.09 17.48 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.851 0.358 . . . . 0.0 110.332 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.4 m -54.81 127.56 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.687 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.04 -15.01 55.58 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.679 0.657 . . . . 0.0 112.241 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -84.68 178.14 7.78 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.019 0.91 . . . . 0.0 110.84 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 28.3 m -139.53 166.77 23.71 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.374 0.607 . . . . 0.0 112.291 -174.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mt -142.63 167.37 14.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 125.627 1.571 . . . . 0.0 107.081 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -140.62 154.65 46.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.807 -0.558 . . . . 0.0 111.351 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -139.83 141.62 33.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 123.865 0.866 . . . . 0.0 108.743 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.78 -133.84 49.96 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -137.68 17.15 2.89 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -142.04 6.96 1.79 Allowed 'General case' 0 C--O 1.231 0.089 0 C-N-CA 123.237 0.615 . . . . 0.0 111.766 -178.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.1 147.41 33.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 118.801 0.728 . . . . 0.0 110.506 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.0 m -138.07 154.98 49.23 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -136.99 146.5 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -177.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.6 m -140.64 129.49 23.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.5 95.2 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -69.2 -29.76 67.79 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.062 -170.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.13 -175.67 40.2 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.55 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 m -124.93 163.07 26.04 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 CA-C-O 121.092 0.473 . . . . 0.0 110.44 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -151.51 68.75 0.91 Allowed 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.48 -138.54 29.09 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -172.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -65.34 -13.06 57.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.793 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -88.65 145.94 25.38 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -133.72 131.47 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -177.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.9 ttm-85 -101.0 129.06 46.78 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.23 154.95 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 -170.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.49 20.23 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 1' ' ' MET . 5.3 mp -133.42 144.88 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -137.53 108.78 6.83 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.78 160.06 31.36 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.045 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.52 152.64 80.36 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.387 2.725 . . . . 0.0 110.75 174.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -65.19 -6.01 8.32 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 122.208 -0.308 . . . . 0.0 110.59 175.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -66.58 -7.86 23.08 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.329 0.652 . . . . 0.0 111.094 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.0 166.06 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 154.03 31.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 121.231 -0.187 . . . . 0.0 110.988 -173.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.5 m -145.26 129.61 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -157.15 159.89 38.24 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -66.08 158.14 29.26 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 169.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.61 -23.03 57.97 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -173.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.75 -45.34 62.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.072 -0.393 . . . . 0.0 110.37 -177.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.25 -28.88 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.2 t80 . . . . . 0 N--CA 1.452 -0.357 0 C-N-CA 122.289 0.236 . . . . 0.0 111.247 -178.255 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ttp . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 111.137 0.051 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.78 127.69 49.48 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.88 141.3 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 C-N-CA 123.201 0.6 . . . . 0.0 109.603 -171.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.53 163.52 32.75 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.236 176.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -94.88 155.46 16.77 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -148.77 140.18 23.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -96.06 159.15 15.11 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.728 0.694 . . . . 0.0 110.452 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.5 m -52.25 140.48 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.86 -15.65 58.71 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 119.256 -0.747 . . . . 0.0 113.328 175.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -81.7 179.49 7.81 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.718 1.259 . . . . 0.0 111.005 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -138.71 170.22 16.38 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.427 0.632 . . . . 0.0 112.237 -174.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.4 mt -153.36 158.53 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 126.169 1.787 . . . . 0.0 107.555 -172.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -137.07 153.98 50.45 Favored 'General case' 0 C--O 1.231 0.086 0 O-C-N 122.125 -0.359 . . . . 0.0 110.65 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -146.54 146.77 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.631 0.772 . . . . 0.0 110.037 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.24 14.86 4.86 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.54 1.067 . . . . 0.0 114.82 171.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 54.5 12.87 0.58 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -140.44 8.19 2.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.364 0.665 . . . . 0.0 110.51 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.21 146.61 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -135.33 151.12 50.22 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -135.09 145.65 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -137.37 128.64 27.94 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.13 88.26 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.3 mt -63.71 -24.8 67.92 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.84 -177.67 42.02 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.475 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -137.65 146.84 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.451 0.7 . . . . 0.0 109.174 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -147.61 68.85 1.13 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.014 0.926 . . . . 0.0 108.55 -176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.31 -135.6 22.62 Favored Glycine 0 C--N 1.336 0.551 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -65.79 -17.7 64.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.859 176.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.42 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 2.5 tp-100 -86.33 149.4 25.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.684 0.674 . . . . 0.0 109.919 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -143.07 133.84 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -107.61 133.39 52.12 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -135.58 155.61 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.08 -170.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.88 153.52 19.37 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.8 mt -135.82 144.91 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -143.01 108.87 5.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.76 159.04 36.79 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.743 0.817 . . . . 0.0 109.095 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.52 150.38 88.66 Favored 'Trans proline' 0 N--CA 1.449 -1.104 0 C-N-CA 122.313 2.009 . . . . 0.0 109.782 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -68.97 -0.72 5.99 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.766 -0.584 . . . . 0.0 110.557 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -68.52 -7.68 34.48 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.19 0.996 . . . . 0.0 110.815 171.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -135.84 169.17 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.0 160.57 27.33 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.151 -0.343 . . . . 0.0 111.485 -173.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 m -144.86 131.62 15.53 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.062 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -156.37 167.08 31.56 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 117.886 0.312 . . . . 0.0 110.91 175.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -61.82 156.35 20.8 Favored 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 171.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -62.21 -37.36 85.05 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.157 -0.339 . . . . 0.0 111.07 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -72.49 -20.88 61.29 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.097 0.559 . . . . 0.0 112.0 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.5 mm -90.69 -30.32 4.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.1 t80 . . . . . 0 N--CA 1.449 -0.519 0 C-N-CA 124.347 1.059 . . . . 0.0 111.454 -176.806 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 110.783 -0.08 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -124.35 102.33 7.62 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 169.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -85.04 150.6 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.553 0.741 . . . . 0.0 109.032 -178.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . 0.603 HD12 ' H ' ' C' ' 5' ' ' THR . 0.2 OUTLIER -154.77 165.66 35.91 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -173.035 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.603 ' H ' HD12 ' C' ' 4' ' ' LEU . 0.0 OUTLIER -134.42 146.34 49.75 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -148.63 162.57 39.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -175.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.42 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 41.6 mtmt -120.04 161.4 21.01 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.469 0.652 . . . . 0.0 110.448 172.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -56.6 129.02 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.317 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.94 7.05 56.75 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.463 -0.632 . . . . 0.0 113.099 178.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -115.29 179.48 3.95 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.322 1.061 . . . . 0.0 110.464 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.8 m -141.27 170.26 16.06 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -173.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 49.6 mt -143.58 165.83 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 126.513 1.925 . . . . 0.0 106.957 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -136.76 154.93 50.44 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-N 118.564 0.62 . . . . 0.0 111.808 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -139.64 146.44 25.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -137.71 42.05 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -135.27 17.17 3.42 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.956 0.502 . . . . 0.0 109.692 175.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -143.23 9.29 1.65 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.69 0.796 . . . . 0.0 111.597 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.03 149.08 33.36 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 CA-C-N 118.893 0.769 . . . . 0.0 110.819 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 45.4 m -139.3 154.54 47.94 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.6 mm -135.15 148.61 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -144.21 150.08 37.41 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -111.45 90.26 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.64 -24.64 63.66 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.225 -169.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.98 -177.77 40.34 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.607 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -127.27 161.67 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 CA-C-O 121.381 0.61 . . . . 0.0 110.731 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 56.9 m -151.17 64.4 0.9 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.36 -135.93 21.61 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.4 -14.98 62.1 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 117.463 0.631 . . . . 0.0 110.98 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -88.95 149.63 23.21 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.03 131.26 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -95.02 128.69 42.04 Favored 'General case' 0 CA--C 1.523 -0.087 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -131.38 154.44 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -170.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.33 149.79 17.54 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -136.75 140.05 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -141.75 104.37 4.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 -172.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.97 162.05 30.49 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 124.003 0.921 . . . . 0.0 109.372 -177.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.8 151.49 85.52 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.759 2.306 . . . . 0.0 110.352 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -67.76 -1.84 6.06 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.837 -0.539 . . . . 0.0 110.697 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -68.39 -7.76 34.34 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.921 0.889 . . . . 0.0 110.481 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -136.26 168.98 21.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.45 159.32 32.22 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 122.007 -0.433 . . . . 0.0 111.314 -174.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.53 130.32 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -157.12 162.2 39.41 Favored 'General case' 0 C--O 1.231 0.129 0 O-C-N 121.732 -0.605 . . . . 0.0 110.81 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -59.11 147.44 34.99 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 169.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.13 -22.4 64.64 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.27 0.486 . . . . 0.0 112.238 -175.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -72.21 -43.03 65.07 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.73 -0.606 . . . . 0.0 110.479 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.7 mm -73.58 -31.94 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 93.7 t80 . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 123.98 0.912 . . . . 0.0 111.5 -179.157 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.467 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 11.9 tpp . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 120.353 0.121 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.8 tm? -127.35 105.35 8.47 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 171.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -99.95 141.86 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.176 0.99 . . . . 0.0 110.179 -174.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.08 167.42 24.35 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.233 0.613 . . . . 0.0 110.583 173.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 p -98.98 160.31 14.35 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.258 0.551 . . . . 0.0 110.359 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -147.95 158.35 44.0 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 172.717 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -102.99 153.71 19.97 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.12 131.03 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.72 6.11 59.65 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 119.411 -0.661 . . . . 0.0 112.809 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -115.86 179.62 3.93 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.457 1.129 . . . . 0.0 110.792 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -135.27 171.57 14.24 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -169.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mt -153.06 159.86 3.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 127.31 2.244 . . . . 0.0 106.52 -171.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -138.07 154.96 49.23 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 118.696 0.68 . . . . 0.0 111.463 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -141.0 142.84 29.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 124.677 1.191 . . . . 0.0 108.733 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.69 -137.69 45.52 Favored Glycine 0 C--N 1.336 0.534 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -135.02 14.87 3.56 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.117 0.567 . . . . 0.0 110.45 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -140.03 8.31 2.28 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.577 0.751 . . . . 0.0 111.548 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.23 146.41 34.28 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 CA-C-N 118.867 0.758 . . . . 0.0 110.801 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.2 m -136.72 156.93 47.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.377 1.071 . . . . 0.0 108.294 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -137.66 146.84 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -140.83 145.04 35.73 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -104.91 90.52 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.24 -26.75 66.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -168.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.78 -177.04 39.02 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.818 176.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.2 m -125.72 162.24 29.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.404 0.621 . . . . 0.0 110.583 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -151.35 65.18 0.89 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.38 -135.92 21.59 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 109.014 -1.634 . . . . 0.0 109.014 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.68 -16.45 63.76 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.693 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.23 150.78 24.14 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -142.3 134.62 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttm-85 -99.37 128.5 45.49 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -132.45 155.05 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 -171.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.9 153.51 20.34 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' C' ' 1' ' ' MET . 73.7 mt -137.32 144.63 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -140.85 109.43 5.94 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.838 0.351 . . . . 0.0 110.473 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.48 159.64 32.35 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.529 1.132 . . . . 0.0 108.042 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' C ' ' H ' ' A' ' 39' ' ' ASP . 29.1 Cg_endo -60.68 149.08 89.36 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 122.011 1.808 . . . . 0.0 108.897 176.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -61.41 -6.73 2.45 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.256 0.55 . . . . 0.0 110.186 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' A' ' 37' ' ' PRO . 19.8 t70 -62.58 -11.12 14.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.413 1.885 . . . . 0.0 112.459 176.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -132.29 172.05 17.03 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . . . -113.93 152.19 31.19 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 122.211 -0.306 . . . . 0.0 110.967 -174.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.7 m -147.48 126.35 4.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.407 ' HE2' ' HB2' ' A' ' 41' ' ' ALA . 8.6 m-70 -157.78 161.93 38.45 Favored 'General case' 0 N--CA 1.457 -0.106 0 O-C-N 121.782 -0.574 . . . . 0.0 110.956 177.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -65.54 153.37 41.67 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 172.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -59.07 -29.96 67.71 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.162 0.185 . . . . 0.0 111.466 -176.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -69.18 -40.84 77.86 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.305 0.242 . . . . 0.0 110.47 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -74.86 -31.35 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.8 t80 . . . . . 0 N--CA 1.453 -0.322 0 C-N-CA 123.706 0.802 . . . . 0.0 111.59 -177.031 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.427 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 12.4 tpp . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 120.483 0.182 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.1 tm? -128.85 106.11 8.69 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 172.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -101.07 142.59 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 123.902 0.881 . . . . 0.0 109.369 -175.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp -162.28 -179.31 6.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.884 0.474 . . . . 0.0 110.632 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -119.68 152.41 37.17 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.491 0.662 . . . . 0.0 111.104 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.7 168.63 20.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.523 1.529 . . . . 0.0 107.755 176.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -118.93 163.33 17.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 174.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.419 HG13 HG13 ' C' ' 25' ' ' VAL . 21.3 m -53.29 136.27 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.692 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.5 -13.89 65.37 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 123.485 0.564 . . . . 0.0 112.485 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -81.96 179.18 7.91 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.908 0.854 . . . . 0.0 111.165 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -140.93 168.85 18.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.379 0.609 . . . . 0.0 111.841 -176.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.441 HG23 ' H ' ' C' ' 13' ' ' ASN . 14.6 mt -143.47 170.05 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 125.603 1.561 . . . . 0.0 107.468 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . 0.441 ' H ' HG23 ' C' ' 12' ' ' ILE . 8.8 t-20 -140.48 154.45 46.6 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.7 -0.625 . . . . 0.0 111.538 -176.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -140.46 138.64 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.07 -129.61 47.91 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 -175.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -141.58 15.5 2.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.037 0.535 . . . . 0.0 110.131 174.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -137.1 7.53 2.91 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.503 0.721 . . . . 0.0 111.526 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.06 143.68 40.3 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-N 118.395 0.543 . . . . 0.0 109.549 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 19.5 m -138.37 155.93 48.07 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -137.35 148.71 25.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -138.86 150.36 45.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -110.99 88.18 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.62 -24.84 67.14 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.262 -168.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.89 -179.01 42.49 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.392 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . 0.419 HG13 HG13 ' C' ' 8' ' ' VAL . 11.6 p -132.69 145.53 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.081 0.552 . . . . 0.0 109.682 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -146.21 60.9 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.491 1.117 . . . . 0.0 108.87 -174.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.03 -136.14 23.68 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.79 -10.06 34.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.335 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -103.39 145.39 30.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 119.048 0.84 . . . . 0.0 109.302 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 31.8 t -135.45 141.12 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -105.47 126.99 52.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -130.78 155.39 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.917 -170.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.54 155.23 21.27 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 1' ' ' MET . 70.4 mt -136.59 144.98 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -140.0 108.25 5.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.14 158.96 32.76 Favored Pre-proline 0 N--CA 1.451 -0.379 0 C-N-CA 123.463 0.705 . . . . 0.0 109.954 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.88 151.5 85.53 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.254 2.636 . . . . 0.0 110.635 174.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -65.2 -4.52 5.21 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.014 -0.429 . . . . 0.0 110.681 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.01 -7.05 19.62 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.636 0.774 . . . . 0.0 110.872 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.33 165.55 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.22 156.29 29.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.078 -0.389 . . . . 0.0 110.922 -174.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 m -144.95 130.99 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -158.8 167.57 29.12 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 122.128 -0.358 . . . . 0.0 110.363 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -60.62 152.27 26.8 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 169.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.91 -23.13 67.22 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.927 0.785 . . . . 0.0 111.576 -178.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -73.12 -30.98 64.02 Favored 'General case' 0 CA--C 1.527 0.083 0 O-C-N 121.816 -0.552 . . . . 0.0 110.877 175.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.7 mm -90.32 -22.4 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.0 t80 . . . . . 0 N--CA 1.452 -0.331 0 C-N-CA 122.896 0.478 . . . . 0.0 110.016 175.748 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.411 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 10.3 tpp . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.1 tm? -125.63 103.52 7.89 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 172.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -93.18 151.5 3.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 125.043 1.337 . . . . 0.0 110.442 -174.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt -151.28 175.99 11.67 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 124.107 0.963 . . . . 0.0 111.403 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 p -128.77 122.66 31.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 167.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -123.19 136.14 54.62 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.673 0.789 . . . . 0.0 109.512 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -82.96 156.17 23.61 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 176.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.409 HG12 HG13 ' A' ' 25' ' ' VAL . 14.3 m -57.0 133.0 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.26 2.68 65.78 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.323 -0.709 . . . . 0.0 113.43 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -106.18 179.61 4.22 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.336 1.068 . . . . 0.0 110.552 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -137.69 171.38 14.53 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -170.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -152.09 165.49 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 126.93 2.092 . . . . 0.0 107.037 -173.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -140.27 154.75 46.95 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 121.556 -0.715 . . . . 0.0 111.737 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -140.64 140.16 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.83 -136.38 47.76 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 -177.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -136.44 17.49 3.15 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -141.25 6.3 1.92 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.95 0.5 . . . . 0.0 111.544 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.78 147.73 33.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 118.649 0.659 . . . . 0.0 110.38 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -137.7 151.67 48.47 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.7 mm -135.41 149.2 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.9 m -143.96 151.7 40.1 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.64 87.32 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.29 -25.23 68.21 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -168.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.69 -174.53 43.95 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.531 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.409 HG13 HG12 ' A' ' 8' ' ' VAL . 13.8 p -141.67 144.04 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.579 0.752 . . . . 0.0 109.855 -176.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -148.18 71.22 1.16 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.024 0.93 . . . . 0.0 108.676 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.7 -138.61 28.86 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 -175.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -66.11 -17.32 64.63 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.921 -0.561 . . . . 0.0 110.707 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.91 148.63 25.69 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -144.36 133.92 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -176.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -101.69 131.37 47.99 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -129.33 150.21 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.534 -169.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.13 145.8 17.23 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -137.27 144.2 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -144.06 104.51 4.14 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.24 159.55 33.37 Favored Pre-proline 0 N--CA 1.454 -0.253 0 C-N-CA 123.629 0.772 . . . . 0.0 109.858 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -66.93 153.38 78.11 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.501 2.801 . . . . 0.0 110.701 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -64.68 -1.34 1.82 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.072 -0.392 . . . . 0.0 110.213 173.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -66.42 -10.84 47.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.314 1.046 . . . . 0.0 110.301 173.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -138.07 167.99 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 124.582 1.153 . . . . 0.0 107.921 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.61 154.69 36.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.14 -0.35 . . . . 0.0 110.68 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -145.06 128.09 10.89 Favored 'Isoleucine or valine' 0 C--O 1.229 0.026 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -157.57 163.24 38.55 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.865 0.364 . . . . 0.0 111.054 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -64.23 156.13 29.7 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 169.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -58.59 -30.33 67.12 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.374 -0.204 . . . . 0.0 111.544 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -72.05 -42.18 66.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.956 -0.465 . . . . 0.0 111.618 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.81 -27.3 16.62 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.095 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.6 t80 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.605 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mmm . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 121.038 0.447 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -135.92 114.41 11.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 168.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -113.42 142.14 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 C-N-CA 123.324 0.65 . . . . 0.0 109.742 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -161.85 171.1 18.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.923 0.489 . . . . 0.0 110.674 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.4 p -104.95 157.94 16.88 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.601 0.715 . . . . 0.0 110.726 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -147.09 164.14 34.04 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -124.48 157.39 35.38 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.527 0.603 . . . . 0.0 110.157 172.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -53.05 126.6 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.451 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.28 8.93 54.52 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-O 119.488 -0.618 . . . . 0.0 112.926 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -116.19 177.84 4.54 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.203 1.001 . . . . 0.0 110.016 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -138.82 168.84 18.93 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -171.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -144.02 164.25 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.193 1.797 . . . . 0.0 106.695 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -137.67 151.52 48.35 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 121.723 -0.611 . . . . 0.0 110.811 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -145.77 142.51 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.471 0.708 . . . . 0.0 110.24 -177.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.1 13.96 7.56 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.129 0.871 . . . . 0.0 114.592 172.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 55.62 12.17 0.76 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.49 1.116 . . . . 0.0 113.731 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -139.48 5.71 2.25 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.451 0.7 . . . . 0.0 110.635 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -132.17 148.25 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 12.3 m -138.22 154.25 49.1 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.0 mm -133.36 144.74 35.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m -139.07 128.4 24.17 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -84.86 92.42 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 38.4 mt -69.9 -24.05 63.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.511 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.21 -177.52 39.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 177.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -124.17 162.89 24.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 121.651 0.739 . . . . 0.0 110.67 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.4 t -150.88 59.02 0.92 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.32 -132.53 18.74 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -177.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -65.42 -12.33 51.3 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 118.958 -0.544 . . . . 0.0 110.984 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -98.42 147.76 24.39 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.9 t -135.92 130.91 49.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 -177.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -93.17 127.56 38.78 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -135.39 155.27 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -171.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.66 158.1 22.4 Favored Glycine 0 C--N 1.333 0.4 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 1' ' ' MET . 61.2 mt -135.86 144.59 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -139.23 110.67 7.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.26 160.1 31.85 Favored Pre-proline 0 N--CA 1.45 -0.462 0 C-N-CA 123.49 0.716 . . . . 0.0 109.58 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' C' ' 39' ' ' ASP . 37.9 Cg_endo -65.81 153.29 78.76 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.031 2.487 . . . . 0.0 109.981 173.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -67.42 -0.35 3.61 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 122.113 -0.367 . . . . 0.0 110.024 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' C' ' 37' ' ' PRO . 26.7 t70 -66.38 -11.98 54.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.591 1.156 . . . . 0.0 109.962 173.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 m -139.01 169.61 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.559 1.144 . . . . 0.0 108.354 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.6 158.1 29.31 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.493 0.187 . . . . 0.0 110.861 -175.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -145.47 130.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.34 0.169 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -156.86 164.13 38.41 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 118.024 0.374 . . . . 0.0 110.558 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -64.04 156.22 28.8 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 171.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -60.5 -24.0 64.96 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.254 -0.279 . . . . 0.0 111.457 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -68.82 -50.7 47.9 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.848 -0.532 . . . . 0.0 110.491 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.0 -27.97 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -173.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 73.7 t80 . . . . . 0 N--CA 1.45 -0.474 0 C-N-CA 122.649 0.38 . . . . 0.0 110.697 179.786 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 ttp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 119.71 -0.186 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -119.43 125.46 49.01 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -125.8 144.36 36.15 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 123.244 0.618 . . . . 0.0 110.137 -170.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.39 168.66 24.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.716 0.806 . . . . 0.0 109.389 174.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.7 p -104.31 157.34 17.21 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.868 174.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -147.39 139.15 24.12 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -86.0 156.32 20.49 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -58.45 133.79 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.084 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.16 4.99 60.97 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.411 -0.661 . . . . 0.0 112.857 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -114.46 177.59 4.59 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.248 1.024 . . . . 0.0 110.401 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -137.26 171.29 14.71 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -169.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.4 mt -144.7 166.76 11.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 126.589 1.956 . . . . 0.0 106.727 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -142.34 154.26 44.52 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 121.568 -0.708 . . . . 0.0 112.119 -176.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.8 mt -146.5 151.08 14.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 C-N-CA 123.815 0.846 . . . . 0.0 110.2 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 15.19 9.72 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.457 1.027 . . . . 0.0 114.9 169.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 55.96 12.01 0.83 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.225 1.01 . . . . 0.0 113.581 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -144.74 8.02 1.28 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.543 0.737 . . . . 0.0 111.157 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.22 149.82 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-O 121.447 0.641 . . . . 0.0 109.659 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -137.07 150.31 47.96 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.5 mm -132.91 146.5 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -143.22 126.7 16.82 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -80.25 89.39 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.64 -29.79 70.8 Favored 'General case' 0 C--N 1.338 0.083 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.513 -171.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.38 -178.54 40.85 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.5 m -129.98 161.58 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-O 121.094 0.473 . . . . 0.0 110.769 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -150.3 73.16 1.13 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.02 -137.89 26.01 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -175.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -66.23 -14.26 61.66 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.124 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -83.03 151.62 25.74 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 118.741 0.701 . . . . 0.0 109.162 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.6 t -142.97 127.89 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.0 ttm-85 -96.3 132.69 41.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -132.85 147.21 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -170.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.13 149.87 18.72 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.3 mt -138.26 144.08 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.414 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -144.65 106.11 4.24 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.68 158.07 37.9 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.468 0.707 . . . . 0.0 109.547 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.8 151.25 86.41 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 123.05 2.5 . . . . 0.0 110.305 175.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -64.76 -7.14 9.79 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.049 -0.407 . . . . 0.0 110.661 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.75 -7.2 19.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.119 0.968 . . . . 0.0 110.928 174.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.89 169.03 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.36 155.73 30.18 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.99 -0.444 . . . . 0.0 111.23 -173.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.4 m -146.33 126.6 6.06 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -158.3 169.89 23.47 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 121.776 -0.577 . . . . 0.0 111.534 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.4 mtm180 -68.49 153.09 44.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 170.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -58.71 -28.8 66.14 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.724 0.41 . . . . 0.0 111.54 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.54 -43.24 77.09 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.55 0.34 . . . . 0.0 110.897 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -75.81 -27.63 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -176.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.9 t80 . . . . . 0 N--CA 1.453 -0.304 0 C-N-CA 123.327 0.651 . . . . 0.0 111.413 -179.01 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.7 mmm . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.851 0.358 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.88 114.27 11.65 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 168.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -114.1 143.92 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.71 0.804 . . . . 0.0 110.223 -172.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -164.84 -178.66 5.36 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.177 0.591 . . . . 0.0 110.56 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.9 p -121.11 157.32 30.38 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.345 0.593 . . . . 0.0 111.561 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.61 165.3 29.92 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.029 1.732 . . . . 0.0 107.594 176.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -117.92 161.53 19.61 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 170.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 m -49.8 130.22 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 O-C-N 123.047 0.217 . . . . 0.0 110.972 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.19 6.94 59.83 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 119.482 -0.621 . . . . 0.0 113.042 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -111.84 175.34 5.47 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.106 0.953 . . . . 0.0 110.409 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -139.28 168.61 19.45 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 37.4 mm -140.39 163.01 23.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 126.565 1.946 . . . . 0.0 106.428 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -132.91 153.47 51.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.559 0.618 . . . . 0.0 111.1 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.2 mt -140.11 138.89 37.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.55 -133.15 51.88 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -176.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -138.31 16.85 2.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.198 0.599 . . . . 0.0 110.224 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -141.33 6.92 1.94 Allowed 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.732 0.813 . . . . 0.0 111.75 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.17 145.66 35.05 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 CA-C-N 118.918 0.781 . . . . 0.0 110.351 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 20.2 m -139.77 155.7 47.16 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.9 mm -136.36 148.08 27.48 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.3 m -144.14 131.16 20.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -81.99 97.41 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -72.52 -28.58 62.96 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -171.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.6 177.76 42.22 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 121.748 -0.263 . . . . 0.0 112.844 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 p -142.01 139.76 30.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.454 0.701 . . . . 0.0 110.509 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.5 m -151.08 118.36 5.98 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.83 -144.48 34.67 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -173.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -79.36 -4.97 53.47 Favored 'General case' 0 N--CA 1.458 -0.069 0 CA-C-N 117.359 0.579 . . . . 0.0 111.856 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -88.29 143.44 27.03 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.339 0.59 . . . . 0.0 109.679 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 34.9 t -133.93 121.28 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.574 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -87.09 127.18 35.13 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -132.63 152.55 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -172.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.09 154.86 17.2 Favored Glycine 0 C--N 1.335 0.506 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.5 mt -138.29 136.7 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -137.24 103.05 4.99 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -172.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.68 161.66 28.94 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 123.765 0.826 . . . . 0.0 109.721 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -66.82 154.7 73.63 Favored 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.113 2.542 . . . . 0.0 110.238 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -67.32 -0.2 3.37 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 122.016 -0.427 . . . . 0.0 110.395 173.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -66.57 -10.8 48.97 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.472 1.109 . . . . 0.0 110.454 173.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -137.16 169.1 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.557 1.143 . . . . 0.0 108.274 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.15 156.01 34.57 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.535 0.207 . . . . 0.0 110.955 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.3 133.99 19.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -154.06 159.91 41.76 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.388 0.613 . . . . 0.0 111.541 176.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -61.17 144.87 52.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.22 -23.94 62.73 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -172.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.23 -23.07 47.56 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.823 -0.548 . . . . 0.0 111.542 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.9 -28.75 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.194 0.598 . . . . 0.0 109.443 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 79.0 t80 . . . . . 0 N--CA 1.451 -0.398 0 C-N-CA 124.426 1.091 . . . . 0.0 111.527 -176.376 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.421 ' HE1' ' HA3' ' C' ' 33' ' ' GLY . 1.6 mmm . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 119.92 -0.086 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -128.91 112.93 14.61 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.06 149.84 10.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 124.392 1.077 . . . . 0.0 110.124 -171.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt -149.47 177.92 9.27 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 124.117 0.967 . . . . 0.0 111.161 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -127.35 120.03 27.59 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 167.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 9.4 mmp_? -117.19 164.0 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.082 172.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -110.8 152.99 25.99 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.1 m -56.79 116.63 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.203 0.525 . . . . 0.0 110.146 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.18 -17.71 19.17 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.805 0.717 . . . . 0.0 112.186 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -79.51 174.34 11.68 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 117.6 0.7 . . . . 0.0 111.063 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.5 m -139.02 165.47 27.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.255 0.55 . . . . 0.0 111.512 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mm -143.29 161.09 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.966 1.706 . . . . 0.0 107.156 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -135.37 155.76 50.06 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.381 0.61 . . . . 0.0 111.354 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.3 mt -141.04 147.7 22.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 114.481 -1.236 . . . . 0.0 108.786 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.7 -136.49 47.32 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -133.16 12.32 4.24 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -146.28 11.54 1.17 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.557 0.743 . . . . 0.0 112.132 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.96 146.19 34.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 119.026 0.83 . . . . 0.0 110.681 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.8 m -139.8 155.52 47.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.161 0.985 . . . . 0.0 108.352 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -137.09 148.59 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -177.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -143.44 129.73 19.87 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -83.97 100.52 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -74.6 -26.89 60.21 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -171.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.96 -176.84 39.93 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.638 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.93 162.25 36.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 121.062 0.458 . . . . 0.0 110.866 177.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -150.97 68.78 0.95 Allowed 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.37 -135.88 22.89 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.65 -16.29 63.59 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 118.677 -0.678 . . . . 0.0 110.536 177.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.423 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 3.3 tp-100 -82.76 147.73 28.25 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 118.802 0.728 . . . . 0.0 109.301 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -141.19 121.53 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -91.56 130.35 37.39 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -134.08 155.26 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -172.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.65 156.45 20.56 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.199 -1.16 . . . . 0.0 110.199 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' C' ' 1' ' ' MET . 72.2 mt -135.57 144.53 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -178.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -139.84 107.75 5.69 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.38 161.8 28.3 Favored Pre-proline 0 N--CA 1.452 -0.351 0 C-N-CA 123.651 0.78 . . . . 0.0 108.997 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.88 154.27 74.63 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.794 2.329 . . . . 0.0 110.129 174.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -68.94 0.19 4.78 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 121.971 -0.456 . . . . 0.0 109.86 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.32 -9.95 38.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.371 1.069 . . . . 0.0 110.625 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -136.1 169.55 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.513 1.125 . . . . 0.0 108.787 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.27 154.64 31.94 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.273 -0.267 . . . . 0.0 110.863 -176.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -144.86 132.95 16.99 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -156.58 160.84 39.82 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.793 0.33 . . . . 0.0 110.472 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -64.01 149.65 46.96 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 170.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -58.25 -23.68 56.85 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.79 -32.96 70.22 Favored 'General case' 0 N--CA 1.457 -0.095 0 O-C-N 121.978 -0.451 . . . . 0.0 111.114 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -90.33 -34.63 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 C-N-CA 122.723 0.409 . . . . 0.0 109.958 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 . . . . . 0 C--N 1.332 -0.185 0 C-N-CA 123.858 0.863 . . . . 0.0 111.874 -176.483 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.415 ' HG3' ' N ' ' C' ' 2' ' ' LEU . 13.7 tpp . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 120.439 0.161 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.2 tm? -126.83 106.77 9.57 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 171.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -100.6 142.28 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 124.114 0.966 . . . . 0.0 110.428 -175.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.59 170.05 20.52 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.19 0.596 . . . . 0.0 110.706 175.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -105.59 157.99 17.01 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.266 0.555 . . . . 0.0 111.838 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -147.95 164.17 34.57 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.724 1.21 . . . . 0.0 108.004 174.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 39.1 mtmt -121.87 161.31 23.0 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 118.504 0.593 . . . . 0.0 110.196 174.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.41 HG13 HG13 ' C' ' 25' ' ' VAL . 35.0 m -51.94 133.29 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.335 -176.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.23 4.98 66.03 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 119.414 -0.659 . . . . 0.0 113.301 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -114.12 -177.86 3.23 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.432 1.116 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 20.0 m -139.16 171.56 14.12 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -171.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -144.43 166.56 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 126.635 1.974 . . . . 0.0 106.827 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -140.67 153.12 45.86 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.722 0.692 . . . . 0.0 112.452 -176.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -148.12 149.29 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.23 1.012 . . . . 0.0 110.093 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.69 14.72 5.42 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.652 1.12 . . . . 0.0 115.354 170.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 55.1 11.77 0.56 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -143.13 8.91 1.66 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.615 0.766 . . . . 0.0 110.543 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.37 148.63 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.1 m -136.92 149.61 47.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.1 mm -130.29 148.96 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -140.37 149.6 42.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -175.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -111.53 84.78 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.61 -23.5 67.28 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.154 -170.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.26 179.23 41.64 Favored Glycine 0 C--N 1.335 0.498 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . 0.41 HG13 HG13 ' C' ' 8' ' ' VAL . 11.6 p -132.38 144.97 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -147.2 66.58 1.14 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.1 0.96 . . . . 0.0 108.585 -174.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.18 -138.44 26.63 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.95 -10.05 35.56 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.162 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -102.2 148.09 25.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 119.235 0.925 . . . . 0.0 109.37 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.8 t -138.99 128.86 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -175.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -90.4 126.43 35.88 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -128.73 152.26 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.545 -169.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.421 ' HA3' ' HE1' ' A' ' 1' ' ' MET . . . -121.94 153.46 16.78 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -139.97 140.85 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -144.4 104.6 4.1 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.37 159.68 41.26 Favored Pre-proline 0 N--CA 1.453 -0.315 0 C-N-CA 124.118 0.967 . . . . 0.0 109.222 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -63.83 150.25 88.85 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 122.553 2.169 . . . . 0.0 110.131 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -68.7 -1.12 6.23 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.243 -0.285 . . . . 0.0 110.343 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -67.74 -8.13 32.97 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.018 0.927 . . . . 0.0 110.914 171.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -135.55 169.3 21.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 176.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.52 160.25 27.39 Favored 'General case' 0 N--CA 1.457 -0.083 0 O-C-N 122.045 -0.41 . . . . 0.0 111.133 -173.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 m -144.02 134.39 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -157.15 168.24 28.01 Favored 'General case' 0 N--CA 1.46 0.061 0 CA-C-N 117.836 0.289 . . . . 0.0 110.437 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -67.02 154.4 41.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 172.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -56.54 -23.97 43.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.271 0.628 . . . . 0.0 111.994 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.26 -47.45 23.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.635 0.255 . . . . 0.0 110.753 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 mm -71.02 -30.59 41.97 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.073 0 O-C-N 122.016 -0.428 . . . . 0.0 109.968 -176.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 83.1 t80 . . . . . 0 N--CA 1.452 -0.366 0 C-N-CA 124.17 0.988 . . . . 0.0 112.008 -176.575 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.428 ' HG2' ' CD1' ' A' ' 3' ' ' ILE . 16.0 tpp . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.189 0.042 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.405 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.1 tm? -127.41 104.92 8.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 171.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.428 ' CD1' ' HG2' ' A' ' 1' ' ' MET . 4.7 mp -96.35 151.15 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.465 1.106 . . . . 0.0 110.172 -174.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.2 mt -149.82 175.34 11.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.065 0.946 . . . . 0.0 111.612 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -127.35 122.02 32.57 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 168.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -122.31 140.99 52.0 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -84.98 151.82 23.92 Favored 'General case' 0 CA--C 1.522 -0.104 0 C-N-CA 122.84 0.456 . . . . 0.0 110.142 176.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.1 m -56.55 125.72 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.82 3.7 45.85 Favored Glycine 0 CA--C 1.531 1.054 0 CA-C-O 119.46 -0.633 . . . . 0.0 113.351 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -116.12 -176.51 2.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.364 1.082 . . . . 0.0 110.985 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.9 m -138.76 170.66 15.59 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -172.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.0 mm -144.02 166.63 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.92 2.088 . . . . 0.0 106.955 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -135.49 153.8 51.62 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 119.071 0.851 . . . . 0.0 112.062 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -140.34 143.38 29.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.295 1.038 . . . . 0.0 108.718 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.95 -137.29 44.24 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -175.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -135.12 15.68 3.51 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -142.73 9.34 1.76 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.493 0.717 . . . . 0.0 111.535 -177.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.52 147.39 32.69 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 CA-C-N 118.628 0.649 . . . . 0.0 109.914 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -139.29 155.24 47.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.9 mm -133.3 148.89 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 m -141.72 149.12 40.09 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.98 84.91 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.668 1.187 . . . . 0.0 107.841 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.75 -24.46 67.57 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 -169.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.94 -174.41 44.1 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 120.336 -0.935 . . . . 0.0 113.267 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.6 p -147.19 137.26 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.489 0.716 . . . . 0.0 110.173 -174.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.7 m -151.65 110.64 3.88 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 124.095 0.958 . . . . 0.0 108.562 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.18 -142.2 36.21 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -173.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.418 HE21 HG22 ' C' ' 8' ' ' VAL . 11.6 mm100 -72.44 -12.93 61.31 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.103 0.952 . . . . 0.0 110.905 175.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.56 153.78 38.89 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.452 0.644 . . . . 0.0 110.088 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -149.22 117.68 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -84.42 133.95 34.48 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -132.78 155.01 40.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -170.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.41 149.82 18.38 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' C' ' 1' ' ' MET . 72.9 mt -137.86 144.18 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -144.29 104.31 4.08 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -174.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.29 160.75 30.56 Favored Pre-proline 0 N--CA 1.451 -0.402 0 C-N-CA 123.604 0.762 . . . . 0.0 109.834 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -66.57 157.03 62.75 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.392 2.728 . . . . 0.0 110.398 174.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -67.95 -0.13 4.06 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.014 0.435 . . . . 0.0 110.404 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.52 -9.2 32.37 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.269 1.028 . . . . 0.0 110.205 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -137.88 169.29 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.03 156.37 36.63 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 122.11 -0.369 . . . . 0.0 110.756 -174.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.76 129.12 10.48 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -155.37 160.78 40.97 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 122.142 -0.348 . . . . 0.0 111.155 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.6 tpt85 -57.43 145.31 33.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 171.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -58.22 -32.0 67.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.063 0.392 . . . . 0.0 111.658 -176.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -71.93 -38.77 69.8 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.256 -0.277 . . . . 0.0 110.748 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.47 -31.73 43.93 Favored 'Isoleucine or valine' 0 C--O 1.23 0.079 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.6 t80 . . . . . 0 N--CA 1.451 -0.381 0 C-N-CA 123.232 0.613 . . . . 0.0 111.045 -178.899 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.34 118.12 16.14 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -110.53 149.32 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.368 0.667 . . . . 0.0 109.541 -171.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -150.65 177.98 9.53 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 123.258 0.623 . . . . 0.0 111.518 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.68 125.44 33.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 167.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.488 HH21 HG22 ' C' ' 22' ' ' ILE . 4.6 ttp180 -131.94 174.76 9.83 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.52 171.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -140.99 167.0 23.24 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.961 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.418 HG22 HE21 ' A' ' 28' ' ' GLN . 7.9 m -51.9 135.83 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 O-C-N 123.82 0.7 . . . . 0.0 112.464 -168.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.24 -5.2 74.83 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.351 -0.694 . . . . 0.0 113.701 176.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -96.91 177.36 5.65 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.387 1.093 . . . . 0.0 111.533 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -143.5 166.61 24.33 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 17.0 mt -143.16 162.83 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 126.261 1.824 . . . . 0.0 108.37 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -127.26 149.34 50.05 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.045 0.384 . . . . 0.0 110.712 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -145.14 144.59 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 123.236 0.615 . . . . 0.0 110.413 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.4 12.95 6.68 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 124.177 0.894 . . . . 0.0 114.513 172.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t70 55.62 12.72 0.85 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.294 1.038 . . . . 0.0 113.39 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -142.18 6.71 1.75 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.388 0.675 . . . . 0.0 110.619 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.5 148.45 30.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -138.54 153.22 48.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -132.65 144.07 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -176.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -135.73 148.0 48.67 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.488 HG22 HH21 ' C' ' 6' ' ' ARG . 1.6 tp -106.18 89.59 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 -178.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.1 -23.48 65.84 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.241 -167.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.77 179.43 36.43 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.939 -0.465 . . . . 0.0 111.939 175.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -121.71 162.8 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-O 121.371 0.605 . . . . 0.0 110.652 175.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -151.53 59.93 0.88 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.501 1.12 . . . . 0.0 108.067 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.42 -134.55 19.6 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.52 -11.1 40.55 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.077 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -100.25 147.62 25.55 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.068 0.849 . . . . 0.0 109.123 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -137.33 130.65 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -94.36 126.85 39.87 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -133.16 154.72 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -171.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.1 154.99 20.53 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.8 mt -136.7 144.98 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -141.57 109.74 5.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.2 160.63 31.64 Favored Pre-proline 0 N--CA 1.454 -0.245 0 C-N-CA 123.604 0.762 . . . . 0.0 109.537 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.05 154.38 74.75 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.115 2.543 . . . . 0.0 110.521 173.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.57 -0.55 3.96 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-O 120.887 0.375 . . . . 0.0 110.623 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.49 -11.7 53.76 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.378 1.071 . . . . 0.0 110.119 173.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.69 169.47 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.682 1.193 . . . . 0.0 108.36 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.21 160.68 23.34 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 122.317 -0.24 . . . . 0.0 111.537 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -147.83 132.61 10.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 176.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -152.83 164.08 38.52 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-O 120.917 0.389 . . . . 0.0 111.225 176.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -62.48 148.38 45.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 170.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -60.29 -31.88 70.67 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.027 0.376 . . . . 0.0 110.737 -176.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.09 -42.56 80.17 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.09 0.556 . . . . 0.0 110.413 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.36 -38.2 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 C-N-CA 122.868 0.467 . . . . 0.0 109.9 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.2 t80 . . . . . 0 N--CA 1.453 -0.304 0 C-N-CA 124.11 0.964 . . . . 0.0 111.715 -175.48 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 mmm . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 120.985 0.422 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -135.49 114.26 11.93 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 168.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.95 141.88 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.469 0.708 . . . . 0.0 110.008 -173.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -162.37 178.86 8.29 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.011 0.524 . . . . 0.0 110.802 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -115.07 157.56 23.35 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.292 0.568 . . . . 0.0 110.468 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -148.4 164.54 33.8 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -124.39 159.49 30.28 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.4 m -57.36 141.14 14.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.543 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.05 -9.18 78.47 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.363 0.506 . . . . 0.0 112.926 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -90.1 -176.13 4.77 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 118.035 0.918 . . . . 0.0 111.02 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -140.75 171.32 14.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.322 0.582 . . . . 0.0 112.065 -174.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mt -154.22 164.14 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.962 2.105 . . . . 0.0 107.184 -171.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -143.54 156.56 44.64 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.59 -0.694 . . . . 0.0 112.215 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -140.91 148.04 22.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 124.134 0.974 . . . . 0.0 108.6 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.24 -139.4 34.15 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -130.74 11.79 5.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.256 0.622 . . . . 0.0 109.96 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -144.07 11.81 1.58 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.516 0.726 . . . . 0.0 111.204 -177.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.66 147.16 33.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.727 0.694 . . . . 0.0 110.403 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.3 m -137.58 153.55 49.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.391 1.076 . . . . 0.0 108.153 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.9 mm -136.89 148.13 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -138.87 148.44 43.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -107.96 86.73 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.29 -24.35 66.54 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.624 -169.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.14 -175.81 38.59 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 118.369 0.531 . . . . 0.0 112.732 175.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.8 m -131.85 165.99 30.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.229 0.538 . . . . 0.0 111.118 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.0 m -151.04 64.37 0.91 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.796 1.239 . . . . 0.0 107.797 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.8 -113.48 3.74 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -81.51 -19.19 42.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.487 ' HG2' ' HE3' ' C' ' 7' ' ' LYS . 9.5 mm-40 -80.08 152.7 29.19 Favored 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 123.707 0.629 . . . . 0.0 110.237 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.2 t -145.81 119.49 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -89.33 128.14 35.86 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -128.3 154.94 39.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -171.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.15 154.35 20.52 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.934 -1.267 . . . . 0.0 109.934 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.3 mt -139.37 144.46 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -177.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -142.9 107.98 4.95 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.92 160.98 30.75 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 123.986 0.915 . . . . 0.0 108.881 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.69 153.84 75.5 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.687 2.258 . . . . 0.0 110.061 174.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -71.78 -0.88 12.18 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.914 -0.491 . . . . 0.0 110.48 176.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -68.66 -6.76 27.83 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.998 0.919 . . . . 0.0 110.35 171.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -135.94 167.49 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.8 158.8 32.48 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.315 -0.241 . . . . 0.0 110.96 -174.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.0 m -144.91 129.84 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -177.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -157.68 160.99 38.55 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.871 -0.518 . . . . 0.0 110.12 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -63.62 156.83 25.52 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.41 -24.05 66.25 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -71.88 -51.81 20.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.766 -0.584 . . . . 0.0 109.876 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.85 -28.97 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 122.868 0.467 . . . . 0.0 109.951 -176.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.7 t80 . . . . . 0 N--CA 1.45 -0.453 0 C-N-CA 122.884 0.473 . . . . 0.0 111.07 -179.75 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.402 ' HG3' ' N ' ' C' ' 2' ' ' LEU . 1.7 ttp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.697 0.284 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.1 tm? -116.1 119.8 37.01 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 176.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -115.32 142.2 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.046 0.938 . . . . 0.0 109.8 -173.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -161.1 169.65 21.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.192 174.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.2 p -98.31 153.36 18.59 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.384 0.611 . . . . 0.0 110.009 177.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.547 HH22 ' HB ' ' C' ' 22' ' ' ILE . 7.4 mmm-85 -147.29 155.95 42.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.268 1.427 . . . . 0.0 107.551 178.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.487 ' HE3' ' HG2' ' A' ' 29' ' ' GLN . 59.9 mttp -123.01 162.62 22.0 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.385 0.612 . . . . 0.0 111.399 175.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.488 ' HA ' ' CG2' ' C' ' 22' ' ' ILE . 15.5 m -51.16 114.53 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 114.611 -1.177 . . . . 0.0 112.05 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . 0.485 ' H ' HG23 ' C' ' 22' ' ' ILE . . . 111.52 -24.11 16.28 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.349 0.5 . . . . 0.0 113.376 173.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . 0.498 ' HB2' HH21 ' C' ' 6' ' ' ARG . 92.5 mt-10 -73.43 -175.75 2.05 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 117.542 0.671 . . . . 0.0 110.806 177.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -143.98 176.09 9.54 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -174.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.546 ' CG1' HH11 ' C' ' 6' ' ' ARG . 4.9 mt -149.62 169.84 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 126.149 1.78 . . . . 0.0 107.889 -176.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . 0.478 ' H ' HG23 ' C' ' 12' ' ' ILE . 23.8 m120 -142.98 151.34 40.78 Favored 'General case' 0 C--N 1.337 0.048 0 C-N-CA 123.138 0.575 . . . . 0.0 110.595 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -147.78 146.02 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.177 0.591 . . . . 0.0 109.954 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.75 14.82 7.91 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.989 0.804 . . . . 0.0 114.864 171.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 56.75 10.92 0.8 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -139.29 7.22 2.38 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.57 0.623 . . . . 0.0 110.474 175.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.23 146.74 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 62.2 m -135.09 146.93 49.36 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -131.33 148.91 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.0 m -140.75 149.34 41.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.547 ' HB ' HH22 ' C' ' 6' ' ' ARG . 0.4 OUTLIER -112.28 118.67 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -92.06 -22.09 20.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.242 -168.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.64 -175.35 39.86 Favored Glycine 0 C--N 1.337 0.634 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.669 172.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.84 139.84 33.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 122.955 0.502 . . . . 0.0 110.904 -175.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.2 m -151.3 113.98 4.66 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.92 -142.65 34.49 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -172.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -78.69 -6.38 55.61 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 117.812 0.806 . . . . 0.0 111.733 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.49 151.87 32.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -146.78 119.64 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -176.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -89.05 136.06 33.22 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -135.65 152.59 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.148 0.579 . . . . 0.0 109.833 -170.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.23 148.97 17.4 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.051 -1.619 . . . . 0.0 109.051 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.4 mt -138.81 144.4 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -144.35 104.46 4.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.6 158.89 39.64 Favored Pre-proline 0 C--O 1.233 0.234 0 C-N-CA 123.717 0.807 . . . . 0.0 109.655 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.0 153.68 77.12 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.008 2.472 . . . . 0.0 110.686 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -70.17 -1.58 10.59 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.947 -0.471 . . . . 0.0 110.851 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -68.58 -8.57 42.9 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.945 0.898 . . . . 0.0 110.436 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -137.72 169.22 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 176.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.7 159.88 24.44 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.821 -0.55 . . . . 0.0 111.104 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.0 m -146.03 130.24 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -158.78 163.2 36.95 Favored 'General case' 0 CA--C 1.522 -0.098 0 O-C-N 122.125 -0.359 . . . . 0.0 110.575 175.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -65.72 158.1 28.39 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 168.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.54 -23.64 58.77 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -174.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -66.29 -48.07 71.57 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.149 -0.344 . . . . 0.0 111.069 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.4 mm -79.87 -26.81 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -174.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 t80 . . . . . 0 N--CA 1.452 -0.36 0 C-N-CA 122.739 0.416 . . . . 0.0 111.341 -179.314 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 mmm . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 120.707 0.289 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -135.6 114.18 11.77 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 167.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -105.9 150.5 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.524 0.73 . . . . 0.0 110.02 -172.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.93 163.75 39.2 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.882 0.873 . . . . 0.0 109.524 -171.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.82 145.04 50.4 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 6.0 mmp_? -145.73 150.41 36.2 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 123.387 0.675 . . . . 0.0 109.551 177.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -89.53 157.22 18.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.421 HG11 HG13 ' A' ' 25' ' ' VAL . 11.8 m -54.13 114.1 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.547 177.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.96 -14.23 24.02 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.595 -0.558 . . . . 0.0 112.852 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -83.15 177.31 8.63 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.192 0.996 . . . . 0.0 111.177 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 m -135.78 167.31 21.41 Favored 'General case' 0 C--N 1.342 0.239 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -171.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -145.28 160.84 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 126.582 1.953 . . . . 0.0 107.139 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -133.99 154.99 50.75 Favored 'General case' 0 C--O 1.23 0.031 0 CA-C-N 118.944 0.793 . . . . 0.0 111.798 -176.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.1 mt -141.24 142.03 29.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.158 -178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.97 -135.51 43.08 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -135.57 15.07 3.42 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.249 0.62 . . . . 0.0 109.74 176.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -143.17 8.45 1.63 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.972 0.509 . . . . 0.0 111.545 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -132.22 147.84 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 118.713 0.688 . . . . 0.0 110.673 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.2 m -139.43 155.51 47.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -134.93 149.07 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -143.26 155.4 44.49 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.15 88.57 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.0 mt -64.64 -23.5 67.28 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -167.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.52 -177.45 43.67 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 118.787 0.722 . . . . 0.0 112.279 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.421 HG13 HG11 ' A' ' 8' ' ' VAL . 13.8 p -137.43 145.64 29.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 C-N-CA 123.28 0.632 . . . . 0.0 109.672 -174.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -149.88 67.21 0.99 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.943 0.897 . . . . 0.0 108.832 -176.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.63 -136.22 22.94 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -65.72 -17.19 64.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.7 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -88.68 150.17 23.13 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 118.728 0.694 . . . . 0.0 109.458 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.8 t -143.23 129.34 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -89.86 131.09 35.97 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mt -129.83 155.15 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -170.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 150.8 18.02 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 -178.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.5 mt -140.03 143.08 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -144.18 105.85 4.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.852 0.358 . . . . 0.0 110.396 -175.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.02 159.58 33.48 Favored Pre-proline 0 N--CA 1.455 -0.215 0 C-N-CA 123.611 0.764 . . . . 0.0 109.2 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 39' ' ' ASP . 38.0 Cg_endo -66.01 153.29 78.7 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.953 2.435 . . . . 0.0 110.686 174.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -64.13 -0.8 1.29 Allowed 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.25 -0.281 . . . . 0.0 110.78 173.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 37' ' ' PRO . 27.4 t70 -66.62 -9.95 40.88 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.366 1.066 . . . . 0.0 110.311 173.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -137.8 169.05 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 124.342 1.057 . . . . 0.0 108.301 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.49 157.22 29.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.96 -0.463 . . . . 0.0 111.369 -175.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.8 m -146.95 135.76 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -152.59 163.82 38.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -59.44 141.9 53.61 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 169.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -59.78 -23.56 63.37 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.245 0.475 . . . . 0.0 111.943 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.11 -21.49 43.2 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.657 0.383 . . . . 0.0 110.757 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.77 -32.76 5.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 124.047 0.939 . . . . 0.0 109.739 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.7 t80 . . . . . 0 N--CA 1.451 -0.403 0 C-N-CA 123.29 0.636 . . . . 0.0 111.477 -176.07 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmm . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 119.858 -0.115 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -130.93 112.51 13.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -106.81 148.51 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.249 1.019 . . . . 0.0 108.967 -171.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -149.63 179.16 8.21 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.407 0.683 . . . . 0.0 110.828 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -133.13 124.88 28.33 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 167.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.74 164.64 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.248 1.019 . . . . 0.0 108.501 171.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -110.92 157.32 20.01 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.751 0.31 . . . . 0.0 110.698 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.423 HG11 HG13 ' C' ' 25' ' ' VAL . 17.0 m -53.2 114.56 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.026 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.88 -16.23 16.07 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 123.983 0.802 . . . . 0.0 111.943 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -84.63 179.14 7.44 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.791 0.795 . . . . 0.0 111.2 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -141.26 170.08 16.4 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.346 0.593 . . . . 0.0 112.277 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mm -144.65 164.67 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 126.843 2.057 . . . . 0.0 107.009 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -139.43 154.71 47.83 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.542 0.61 . . . . 0.0 111.889 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -139.82 144.38 28.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 124.192 0.997 . . . . 0.0 108.962 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.35 -135.46 44.56 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -136.75 17.22 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.221 0.609 . . . . 0.0 110.034 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -142.44 8.59 1.79 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.295 0.638 . . . . 0.0 111.493 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.13 147.13 33.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.198 0 CA-C-N 118.723 0.692 . . . . 0.0 110.412 -178.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -138.58 153.17 48.66 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.92 0.888 . . . . 0.0 108.61 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -134.6 149.23 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.8 m -143.21 151.89 41.13 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -110.37 87.82 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.36 -26.39 67.25 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -168.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.18 -173.57 44.77 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.706 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . 0.423 HG13 HG11 ' C' ' 8' ' ' VAL . 6.6 p -140.73 144.58 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.352 0.661 . . . . 0.0 109.382 -175.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -151.09 75.37 1.19 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.88 -142.02 34.04 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -67.06 -7.14 20.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 118.636 -0.697 . . . . 0.0 110.956 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -101.15 150.12 23.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 119.087 0.858 . . . . 0.0 109.328 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -136.54 140.39 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -104.11 132.1 50.71 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -130.04 151.94 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -169.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.79 150.24 17.08 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -177.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -138.74 144.2 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -144.74 106.03 4.22 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.53 158.9 35.45 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.749 0.82 . . . . 0.0 109.802 -177.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.83 154.07 75.49 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.833 2.355 . . . . 0.0 110.392 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -70.62 -0.7 9.21 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.12 -0.363 . . . . 0.0 110.592 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.77 -7.07 36.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.798 0.839 . . . . 0.0 110.618 172.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -136.7 169.24 20.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.923 0.889 . . . . 0.0 108.819 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.25 156.59 29.66 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -173.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 m -148.02 134.11 12.22 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -159.67 166.01 31.47 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.59 0.709 . . . . 0.0 111.727 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -58.89 148.04 31.68 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 168.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -56.64 -31.66 64.57 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 122.229 -0.294 . . . . 0.0 111.719 -174.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.29 -35.91 47.3 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.952 -0.467 . . . . 0.0 111.261 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -72.88 -34.52 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 34.9 t80 . . . . . 0 N--CA 1.453 -0.307 0 C-N-CA 123.749 0.819 . . . . 0.0 111.628 -179.644 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.427 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 7.2 tpp . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 120.398 0.142 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.2 tm? -126.57 111.18 14.06 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 171.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 1' ' ' MET . 5.1 mp -106.13 143.29 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.02 0.928 . . . . 0.0 110.362 -175.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -161.41 173.21 15.24 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.116 0.566 . . . . 0.0 110.919 173.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -109.91 155.15 22.09 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.158 0.504 . . . . 0.0 110.989 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.34 166.89 24.26 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.83 1.252 . . . . 0.0 109.304 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -115.51 153.57 30.91 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -57.74 127.49 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.77 7.2 53.68 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.617 -0.546 . . . . 0.0 112.791 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -118.3 178.62 4.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.056 0.928 . . . . 0.0 110.939 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.4 m -139.74 170.45 15.87 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -170.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.9 mm -141.15 163.6 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 127.059 2.144 . . . . 0.0 107.15 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -134.75 151.65 51.14 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.8 0.727 . . . . 0.0 111.27 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -145.95 144.38 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.565 0.746 . . . . 0.0 110.257 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.39 12.82 9.36 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.193 0.901 . . . . 0.0 114.627 171.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 57.13 10.51 0.84 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.245 1.018 . . . . 0.0 113.608 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -141.27 7.67 1.99 Allowed 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.559 0.744 . . . . 0.0 110.843 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.39 145.3 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -138.84 152.63 48.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -132.34 144.8 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -139.18 120.82 15.22 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -75.43 99.85 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 174.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.7 mt -73.83 -27.47 61.12 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 122.172 -0.33 . . . . 0.0 111.78 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.04 -179.09 39.16 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 m -120.2 163.33 17.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-O 121.193 0.52 . . . . 0.0 111.016 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -151.44 60.07 0.89 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.63 -133.76 16.37 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -177.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.58 -18.01 65.0 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.422 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -87.73 148.57 24.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.1 t -140.01 125.39 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -88.35 130.18 35.21 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -137.69 154.59 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -172.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.61 157.99 19.82 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.7 mt -138.1 144.66 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -139.78 111.52 7.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.71 158.34 34.15 Favored Pre-proline 0 N--CA 1.45 -0.439 0 C-N-CA 123.502 0.721 . . . . 0.0 109.626 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.95 152.7 81.42 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.913 2.409 . . . . 0.0 110.38 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -69.99 -0.81 8.13 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 122.093 -0.379 . . . . 0.0 110.733 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -68.08 -8.76 40.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.448 0.699 . . . . 0.0 110.297 171.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.18 169.09 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.295 1.038 . . . . 0.0 108.223 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.36 160.4 30.54 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.59 0.233 . . . . 0.0 111.401 -174.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -143.54 131.36 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -156.18 162.31 40.21 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.468 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 27.7 ttt85 -59.39 150.75 25.48 Favored 'General case' 0 CA--C 1.527 0.064 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 169.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -60.9 -24.35 65.92 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -172.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' H ' ' HG2' ' A' ' 44' ' ' ARG . 76.0 mm-40 -74.37 -46.92 37.39 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.945 -0.472 . . . . 0.0 110.56 175.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -64.4 -27.89 43.66 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.448 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 73.2 t80 -65.19 -38.54 90.81 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.462 0.705 . . . . 0.0 110.686 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -69.63 -18.77 63.62 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.997 -0.44 . . . . 0.0 111.493 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.22 -9.48 59.72 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 122.947 0.499 . . . . 0.0 110.208 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.6 mt -110.52 -43.73 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 122.634 0.374 . . . . 0.0 110.309 -175.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 62.7 mm-40 -69.61 -0.61 7.07 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.84 -16.17 63.58 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.27 14.18 0.06 OUTLIER Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.071 -0.849 . . . . 0.0 114.265 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -151.79 -178.93 7.02 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 118.656 1.228 . . . . 0.0 112.298 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.7 m -147.38 9.22 0.94 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.181 0.593 . . . . 0.0 110.128 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.44 76.68 10.89 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 123.125 0.57 . . . . 0.0 110.488 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -52.42 176.69 0.06 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 125.057 3.838 . . . . 0.0 114.189 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 C--O 1.234 0.266 0 C-N-CA 124.177 0.991 . . . . 0.0 112.061 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.73 -2.97 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.517 HO2' " H5'" ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C4'-C3'-C2' 99.211 -3.489 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . 0.517 " H5'" HO2' ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.256 -3.444 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . 0.455 " H5'" HO2' ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 O4'-C1'-N19 111.657 3.457 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.603 HO2' " H5'" ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 98.728 -3.972 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . 0.603 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C4'-C3'-C2' 99.733 -2.967 . 0.555 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.546 HO2' " H5'" ' B' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 100.018 -2.682 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . 0.546 " H5'" HO2' ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.715 -2.985 . 0.623 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.643 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O4'-C1'-N19 111.223 3.023 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.643 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.457 -3.243 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 O4'-C1'-N19 111.503 3.303 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C5'-C4'-C3' 110.85 -3.1 . 0.352 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . 0.401 ' C6 ' ' CE ' ' A' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.419 -2.858 1 C5'-C4'-C3' 105.456 -6.696 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 1 P-O3'-C3' 125.577 4.898 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . 0.579 HO2' " H5'" ' B' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.358 -3.342 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . 0.579 " H5'" HO2' ' B' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 98.711 -3.989 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . 0.539 HO2' " H5'" ' B' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 C4'-C3'-C2' 99.228 -3.472 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.539 " H5'" HO2' ' B' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C4'-C3'-C2' 99.754 -2.946 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.453 " H5'" HO2' ' B' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 C4'-C3'-C2' 99.709 -2.991 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.504 HO2' " H5'" ' B' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C4'-C3'-C2' 99.608 -3.092 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . 0.504 " H5'" HO2' ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.989 -2.711 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.427 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 11.1 tpp . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 120.273 0.082 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -126.95 108.69 11.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 170.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.42 ' CD1' ' HG2' ' C' ' 1' ' ' MET . 4.6 mp -97.9 150.95 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 123.959 0.903 . . . . 0.0 109.651 -174.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 82.8 mt -151.48 179.84 8.01 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.142 0.977 . . . . 0.0 111.183 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.3 p -131.8 128.81 39.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 166.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -131.18 138.71 49.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -86.77 155.29 20.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.928 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.419 HG13 HG13 ' C' ' 25' ' ' VAL . 18.0 m -54.32 127.15 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.515 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.9 1.45 45.65 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-O 119.44 -0.645 . . . . 0.0 113.074 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -114.56 179.62 3.9 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.73 1.265 . . . . 0.0 111.14 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.5 m -134.44 171.68 13.97 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -171.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mt -147.8 167.66 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 126.262 1.825 . . . . 0.0 106.493 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -136.92 154.15 50.54 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.507 0.594 . . . . 0.0 111.229 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.0 mt -142.05 142.24 28.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 C-N-CA 123.953 0.901 . . . . 0.0 109.127 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.5 -133.32 52.73 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -136.54 11.79 3.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.247 0.619 . . . . 0.0 109.873 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -144.37 10.21 1.45 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.176 0.591 . . . . 0.0 111.966 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.04 145.95 34.86 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 118.818 0.735 . . . . 0.0 110.239 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -137.68 154.55 49.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.4 mm -136.2 148.38 27.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -176.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -141.88 130.1 22.22 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.951 0.405 . . . . 0.0 110.006 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -84.9 87.78 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.71 -28.27 68.94 Favored 'General case' 0 C--N 1.338 0.087 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -168.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.1 -176.26 46.54 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.906 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . 0.419 HG13 HG13 ' C' ' 8' ' ' VAL . 7.3 p -140.64 145.07 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.515 0.726 . . . . 0.0 109.433 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -147.82 60.2 1.13 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.612 1.165 . . . . 0.0 108.726 -175.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.03 -133.92 17.64 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.72 -10.11 33.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.906 -0.568 . . . . 0.0 111.206 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -102.13 148.61 25.19 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 118.567 0.621 . . . . 0.0 109.528 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.3 t -138.25 147.07 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -115.36 130.27 56.84 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.88 153.75 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -169.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.05 155.85 20.47 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 1' ' ' MET . 68.9 mt -137.96 144.56 30.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.7 t-20 -139.83 109.06 6.1 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.32 160.66 30.68 Favored Pre-proline 0 N--CA 1.451 -0.387 0 C-N-CA 124.151 0.98 . . . . 0.0 109.086 -176.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.22 151.89 83.96 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.819 2.346 . . . . 0.0 110.221 174.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -69.42 -0.76 6.91 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.809 -0.557 . . . . 0.0 110.653 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.92 -5.38 25.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.02 0.928 . . . . 0.0 110.883 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 m -134.78 169.69 20.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.85 156.02 34.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.953 -0.467 . . . . 0.0 111.095 -174.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 m -146.05 131.93 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -157.64 169.78 23.88 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 118.061 0.392 . . . . 0.0 111.466 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 44.3 mtp-105 -64.65 150.64 46.69 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 170.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -61.39 -26.83 68.1 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.103 -0.373 . . . . 0.0 110.629 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -72.74 -43.88 62.37 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.822 0.449 . . . . 0.0 110.375 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -69.98 -31.2 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.432 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 79.9 t80 -59.42 -38.21 80.04 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.256 0.622 . . . . 0.0 111.827 -176.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -68.34 -17.52 64.27 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.981 -0.449 . . . . 0.0 112.008 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -86.12 -9.02 57.41 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 122.69 0.396 . . . . 0.0 110.425 176.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 89.0 mt -111.03 -33.06 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.097 0.559 . . . . 0.0 110.967 -173.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.432 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 68.2 mm-40 -81.88 2.85 28.53 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 122.208 -0.308 . . . . 0.0 111.078 176.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.42 -18.35 64.64 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.85 21.86 0.1 Allowed Glycine 0 C--N 1.341 0.835 0 CA-C-O 118.742 -1.032 . . . . 0.0 114.527 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.04 -26.9 0.44 Allowed 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m 35.99 39.6 0.08 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.273 1.029 . . . . 0.0 112.882 -172.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.49 83.33 7.7 Favored Pre-proline 0 N--CA 1.455 -0.224 0 C-N-CA 123.507 0.723 . . . . 0.0 109.754 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.36 171.98 0.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 124.72 3.613 . . . . 0.0 114.436 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 CA--C 1.532 0.267 0 CA-C-N 115.276 -0.874 . . . . 0.0 112.057 179.568 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.435 HO2' " H5'" ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C5'-C4'-C3' 111.14 -2.906 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.435 " H5'" HO2' ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.368 -3.332 . 0.809 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.503 HO2' " H5'" ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.338 -3.362 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.503 " H5'" HO2' ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.907 0 O4'-C1'-N19 111.444 3.244 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.481 " H5'" HO2' ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.067 -3.633 . 0.779 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 C4'-C3'-C2' 99.381 -3.319 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.523 HO2' " H5'" ' D' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.736 -2.964 . 0.689 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . 0.523 " H5'" HO2' ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.474 0 C4'-C3'-C2' 99.352 -3.348 . 0.651 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.619 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.263 3.063 . 0.285 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.619 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 C4'-C3'-C2' 100.043 -2.657 . 0.017 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 N19-C1'-C2' 108.612 -2.993 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-C3' 110.897 -3.069 . 0.133 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 1 C5'-C4'-C3' 105.506 -6.663 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.952 1 P-O3'-C3' 125.585 4.904 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C4'-C3'-C2' 98.93 -3.77 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.391 0 C4'-C3'-C2' 98.73 -3.97 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . 0.573 HO2' " H5'" ' D' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 C4'-C3'-C2' 99.023 -3.677 . 0.58 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.573 " H5'" HO2' ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.752 -2.948 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.491 HO2' " H5'" ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.694 -3.006 . 0.856 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.513 HO2' " H5'" ' D' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.276 -3.424 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . 0.513 " H5'" HO2' ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.847 -2.853 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 mmm . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.942 0.401 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.26 108.18 7.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 169.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -98.56 150.58 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.515 0.726 . . . . 0.0 109.441 -173.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.431 HD12 ' H ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -154.81 164.52 38.7 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.01 0.924 . . . . 0.0 109.231 -172.034 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.431 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.3 p -125.92 152.58 45.42 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 170.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -148.98 162.64 39.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -115.97 162.16 17.78 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 118.169 0.44 . . . . 0.0 110.23 173.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -57.32 131.96 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.986 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.41 6.79 58.49 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.442 -0.643 . . . . 0.0 112.999 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -118.62 178.59 4.41 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 118.227 1.014 . . . . 0.0 110.315 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -137.25 170.16 16.57 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -169.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mt -143.62 166.05 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 126.898 2.079 . . . . 0.0 106.871 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -138.12 155.0 49.18 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.696 0.68 . . . . 0.0 112.083 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -139.79 147.46 23.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 124.296 1.038 . . . . 0.0 108.569 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.1 -138.3 39.35 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -133.7 15.85 3.97 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.147 0.579 . . . . 0.0 109.932 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -143.55 10.41 1.63 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.845 0.858 . . . . 0.0 111.989 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.24 147.74 32.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 119.067 0.848 . . . . 0.0 111.084 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -139.07 154.89 48.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.28 1.032 . . . . 0.0 108.583 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -136.8 143.24 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -139.46 129.23 24.69 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.788 0.328 . . . . 0.0 110.369 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -83.16 93.91 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.3 -27.31 64.29 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -170.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.08 -179.81 40.55 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.333 -0.461 . . . . 0.0 112.06 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -125.58 163.39 26.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 121.372 0.606 . . . . 0.0 110.563 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 m -151.32 59.51 0.9 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.622 1.169 . . . . 0.0 108.019 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.36 -132.99 17.31 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -66.15 -11.05 46.77 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.077 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -98.86 149.2 23.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 118.934 0.788 . . . . 0.0 109.029 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.2 t -134.77 146.45 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -112.1 128.52 56.23 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -134.0 155.21 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -170.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.01 156.57 20.78 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' C' ' 1' ' ' MET . 64.0 mt -137.81 144.84 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -140.53 108.85 5.81 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.14 161.54 29.03 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 123.742 0.817 . . . . 0.0 109.283 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.28 156.84 63.07 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.912 2.408 . . . . 0.0 110.742 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -69.27 -0.46 6.2 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.012 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.19 -10.54 42.56 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.323 1.049 . . . . 0.0 110.296 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.52 169.18 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 124.554 1.142 . . . . 0.0 108.796 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.02 156.61 33.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 122.195 -0.316 . . . . 0.0 111.129 -175.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -145.19 128.68 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -156.55 158.13 36.59 Favored 'General case' 0 C--N 1.337 0.063 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.4 ptt85 -70.17 159.23 34.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -56.78 -23.92 46.73 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -170.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -75.06 -45.02 44.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.829 0.741 . . . . 0.0 110.797 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.6 mm -73.94 -28.46 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.419 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 73.3 t80 -59.91 -38.52 82.54 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.047 0.539 . . . . 0.0 111.158 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -70.53 -15.29 62.77 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -84.07 -11.05 57.32 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.551 0.34 . . . . 0.0 110.094 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 93.1 mt -110.6 -32.88 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.136 0.574 . . . . 0.0 110.885 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.419 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 56.1 mm-40 -81.73 2.97 27.4 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.858 -0.526 . . . . 0.0 110.926 177.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.3 -18.67 64.82 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.88 19.75 0.1 OUTLIER Glycine 0 C--N 1.343 0.929 0 CA-C-O 119.025 -0.875 . . . . 0.0 114.133 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.29 -25.06 0.44 Allowed 'General case' 0 C--N 1.338 0.095 0 CA-C-N 118.852 1.326 . . . . 0.0 114.574 -172.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m 37.44 36.4 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.654 1.182 . . . . 0.0 113.145 -173.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.15 98.18 2.95 Favored Pre-proline 0 N--CA 1.451 -0.424 0 C-N-CA 123.14 0.576 . . . . 0.0 109.845 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.13 -30.69 10.77 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 124.482 3.454 . . . . 0.0 114.248 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.8 t0 . . . . . 0 N--CA 1.453 -0.318 0 C-N-CA 122.76 0.424 . . . . 0.0 109.99 -175.242 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.678 -3.022 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C4'-C3'-C2' 99.179 -3.521 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C4'-C3'-C2' 99.405 -3.295 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C4'-C3'-C2' 99.621 -3.079 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 98.956 -3.744 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 99.324 -3.376 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.546 HO2' " H5'" ' B' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 O4'-C1'-N19 110.917 2.717 . 0.597 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . 0.546 " H5'" HO2' ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 100.171 -2.529 . 0.743 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.472 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.63 1 C5'-C4'-C3' 109.295 -4.137 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.472 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 C4'-C3'-C2' 99.689 -3.011 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C3'-C2'-C1' 104.041 2.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-C3' 111.221 -2.853 . 0.109 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 1 C5'-C4'-C3' 104.691 -7.206 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . 0.435 HO2' " H5'" ' B' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.099 1 P-O3'-C3' 125.916 5.18 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . 0.435 " H5'" HO2' ' B' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.096 -3.604 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . 0.566 HO2' " H5'" ' B' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 98.989 -3.711 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . 0.568 HO2' " H5'" ' B' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.302 -3.398 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.568 " H5'" HO2' ' B' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.752 -2.948 . 0.744 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.448 " H5'" HO2' ' B' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.408 -3.292 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.481 HO2' " H5'" ' B' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C4'-C3'-C2' 99.221 -3.479 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . 0.481 " H5'" HO2' ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 N19-C1'-C2' 109.122 -2.674 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.415 ' HG2' ' CD1' ' C' ' 3' ' ' ILE . 7.3 tpp . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.817 -0.068 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -125.06 109.74 13.3 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 171.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.415 ' CD1' ' HG2' ' C' ' 1' ' ' MET . 5.0 mp -104.82 141.82 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.775 0.83 . . . . 0.0 110.029 -175.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.3 174.66 12.52 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.567 174.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -110.74 158.0 19.14 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.222 0.534 . . . . 0.0 111.239 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.24 153.05 38.2 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -95.55 149.07 21.83 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.78 119.65 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.85 5.06 25.86 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.332 -0.705 . . . . 0.0 112.914 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -121.22 -176.16 3.22 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.424 1.112 . . . . 0.0 110.82 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -135.95 171.39 14.54 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mt -146.12 166.39 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 126.699 1.999 . . . . 0.0 106.973 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -139.71 154.05 47.37 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 118.754 0.706 . . . . 0.0 111.858 -176.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -147.27 149.68 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 123.962 0.905 . . . . 0.0 109.648 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.51 13.99 4.53 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 124.741 1.162 . . . . 0.0 115.186 171.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 55.17 12.04 0.62 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -142.67 8.99 1.76 Allowed 'General case' 0 C--N 1.34 0.187 0 C-N-CA 123.667 0.787 . . . . 0.0 110.609 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.43 149.64 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -136.21 150.48 49.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.4 mm -133.02 147.75 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 13.1 m -141.98 125.1 16.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -81.08 87.1 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.53 -27.95 69.31 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -170.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.68 -173.92 43.92 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 120.39 -0.91 . . . . 0.0 113.106 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.35 140.27 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.882 0.873 . . . . 0.0 109.344 -173.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -150.76 83.5 1.34 Allowed 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.921 0.888 . . . . 0.0 108.631 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.68 -142.09 39.67 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 -173.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -69.89 -12.93 61.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.616 0.708 . . . . 0.0 111.589 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -78.23 149.81 33.57 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -142.76 118.59 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -90.05 136.19 33.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -135.59 150.95 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -170.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.61 150.38 18.36 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.3 mt -138.66 144.43 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -144.57 105.52 4.18 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.59 159.26 36.64 Favored Pre-proline 0 C--N 1.332 -0.155 0 C-N-CA 123.375 0.67 . . . . 0.0 109.797 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.23 154.03 75.75 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.466 2.778 . . . . 0.0 110.695 173.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -70.18 -2.02 11.9 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.99 -0.444 . . . . 0.0 110.758 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.93 -8.76 31.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.092 0.957 . . . . 0.0 110.032 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m -138.02 169.36 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.135 0.974 . . . . 0.0 108.534 176.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.12 160.23 30.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.063 -0.398 . . . . 0.0 111.537 -173.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.9 m -146.4 131.59 12.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -157.08 166.74 32.46 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 122.239 -0.288 . . . . 0.0 110.329 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.15 156.24 25.74 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 172.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -59.28 -23.9 62.79 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 122.11 -0.368 . . . . 0.0 111.374 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -75.18 -49.13 20.46 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.256 -0.278 . . . . 0.0 110.752 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.6 mm -69.6 -29.37 41.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-O 121.116 0.484 . . . . 0.0 110.31 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.455 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 83.5 t80 -59.38 -34.86 72.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.892 0.877 . . . . 0.0 112.104 -177.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -71.31 -16.25 62.45 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -177.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -85.17 -8.28 58.67 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 122.694 0.398 . . . . 0.0 109.963 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 82.4 mt -110.5 -44.37 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 122.592 0.357 . . . . 0.0 110.798 -173.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.455 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 67.5 mm-40 -68.56 0.71 3.78 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.43 -16.43 64.09 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.326 0.651 . . . . 0.0 111.779 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.19 15.24 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 CA-C-O 118.853 -0.97 . . . . 0.0 114.414 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -154.06 -175.97 5.64 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 119.111 1.455 . . . . 0.0 112.549 -172.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.1 p -144.74 10.2 1.37 Allowed 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 124.064 0.946 . . . . 0.0 110.489 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.73 128.13 5.58 Favored Pre-proline 0 N--CA 1.45 -0.443 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -54.09 175.9 0.12 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 124.448 3.432 . . . . 0.0 112.933 172.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.682 -179.436 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.458 HO2' " H5'" ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 C4'-C3'-C2' 99.733 -2.967 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.458 " H5'" HO2' ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.358 -3.342 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C4'-C3'-C2' 99.386 -3.314 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 C4'-C3'-C2' 99.34 -3.36 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.624 HO2' " H5'" ' D' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 C4'-C3'-C2' 98.762 -3.938 . 0.753 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . 0.624 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 C4'-C3'-C2' 99.586 -3.114 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.574 HO2' " H5'" ' D' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 O4'-C1'-N19 111.169 2.969 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . 0.574 " H5'" HO2' ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 O4'-C1'-N19 111.566 3.366 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.667 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 O4'-C1'-N19 111.771 3.571 . 0.491 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.667 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 100.024 -2.676 . 0.016 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C3'-C2'-C1' 103.786 2.54 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.982 0 C5'-C4'-C3' 110.701 -3.2 . 0.126 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 1 C5'-C4'-C3' 105.426 -6.716 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.988 1 P-O3'-C3' 125.485 4.821 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 C4'-C3'-C2' 99.059 -3.641 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.612 HO2' " H5'" ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.495 0 C4'-C3'-C2' 98.758 -3.942 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . 0.612 " H5'" HO2' ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.34 -3.36 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.446 HO2' " H5'" ' D' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.684 -3.016 . 0.753 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.494 HO2' " H5'" ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.876 0 C4'-C3'-C2' 99.257 -3.443 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.5 HO2' " H5'" ' D' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.312 -3.388 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . 0.5 " H5'" HO2' ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 O4'-C1'-N19 110.848 2.648 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 119.876 -0.106 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -124.1 113.74 18.77 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.38 138.12 42.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 123.877 0.871 . . . . 0.0 108.971 -172.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.72 169.56 22.54 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 122.699 0.399 . . . . 0.0 110.79 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.4 p -106.0 157.84 17.22 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.605 0.717 . . . . 0.0 111.28 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -146.81 155.76 42.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.028 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -104.05 152.19 22.36 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 m -57.07 128.23 17.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.08 7.96 55.76 Favored Glycine 0 CA--C 1.531 1.074 0 CA-C-O 119.627 -0.541 . . . . 0.0 112.789 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -119.45 -177.35 3.35 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.903 0.851 . . . . 0.0 110.31 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 m -139.01 169.65 17.4 Favored 'General case' 0 C--N 1.339 0.147 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mm -140.27 163.58 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 126.667 1.987 . . . . 0.0 106.245 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -136.36 150.35 48.79 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.259 0.936 . . . . 0.0 111.164 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -145.94 142.34 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.789 0.836 . . . . 0.0 110.77 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.03 18.85 9.68 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 124.265 0.936 . . . . 0.0 114.348 172.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p30 45.9 17.09 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.943 1.697 . . . . 0.0 115.079 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -137.67 6.42 2.71 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 123.597 0.759 . . . . 0.0 110.158 172.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.21 146.92 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -138.04 154.81 49.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -131.41 142.4 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.3 m -134.18 119.91 19.41 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -78.76 92.46 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -68.57 -28.27 66.8 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -170.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.53 -178.73 38.97 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 121.381 -0.437 . . . . 0.0 112.22 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -117.27 163.12 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 CA-C-O 121.603 0.715 . . . . 0.0 110.754 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.2 t -151.07 58.58 0.91 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.66 -134.85 22.73 Favored Glycine 0 C--N 1.337 0.621 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.22 -9.59 33.65 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.133 0.466 . . . . 0.0 111.287 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -97.62 148.28 23.45 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.33 137.27 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -100.66 129.55 46.59 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -135.06 151.72 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -171.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.16 156.37 18.28 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' C' ' 1' ' ' MET . 66.3 mt -136.78 144.86 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -139.57 107.4 5.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.22 158.19 36.6 Favored Pre-proline 0 N--CA 1.452 -0.362 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.8 145.87 96.93 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.059 1.839 . . . . 0.0 108.992 175.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HE3' " H2'" ' D' ' 65' ' ' ' G' . 14.1 tptm -62.68 -8.45 6.64 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.143 0.497 . . . . 0.0 110.999 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.4 -6.63 15.12 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.691 1.996 . . . . 0.0 112.346 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -133.84 169.23 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 176.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.67 156.19 25.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.838 0.29 . . . . 0.0 111.545 -173.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.5 m -146.58 126.24 5.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -156.28 160.88 40.16 Favored 'General case' 0 CA--C 1.521 -0.161 0 O-C-N 121.867 -0.52 . . . . 0.0 110.406 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -65.73 156.41 33.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.32 -23.52 62.55 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -76.19 -45.02 35.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.048 -0.407 . . . . 0.0 110.365 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.34 -31.92 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.448 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 82.7 t80 -58.44 -36.8 74.2 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.191 0.596 . . . . 0.0 111.376 -177.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -70.19 -18.67 63.19 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -81.07 -9.43 59.83 Favored 'General case' 0 C--O 1.227 -0.109 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.7 mt -110.38 -44.65 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 122.6 0.36 . . . . 0.0 111.06 -173.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 63.2 mm-40 -68.39 -0.9 5.42 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 122.153 -0.342 . . . . 0.0 111.337 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.04 -17.46 64.46 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.043 0.537 . . . . 0.0 111.486 177.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.27 15.33 0.07 OUTLIER Glycine 0 CA--C 1.531 1.051 0 CA-C-O 118.713 -1.048 . . . . 0.0 114.427 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -154.14 -177.39 6.39 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.217 1.508 . . . . 0.0 112.718 -173.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.3 p -145.37 12.61 1.36 Allowed 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.05 0.94 . . . . 0.0 110.743 175.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.53 126.75 6.93 Favored Pre-proline 0 N--CA 1.451 -0.409 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -47.51 -31.78 14.37 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 124.633 3.556 . . . . 0.0 114.355 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -174.671 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.437 HO2' " H5'" ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.867 -2.833 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.479 HO2' " H5'" ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 C4'-C3'-C2' 99.121 -3.579 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . 0.479 " H5'" HO2' ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 99.048 -3.652 . 0.757 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . 0.475 HO2' " H5'" ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 O4'-C1'-N19 111.837 3.637 . 0.787 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.475 " H5'" HO2' ' B' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 99.516 -3.184 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 C4'-C3'-C2' 99.462 -3.238 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 99.219 -3.481 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 O4'-C1'-N19 111.437 3.237 . 0.562 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.62 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 O4'-C1'-N19 111.445 3.245 . 0.496 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.62 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 C4'-C3'-C2' 99.084 -3.616 . 0.046 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 111.387 3.187 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . 0.577 " C2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 C3'-C2'-C1' 105.062 3.957 . 0.581 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . 0.577 H5'' " C2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.171 2 O5'-C5'-C4' 118.194 5.71 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . 0.546 " C5'" " H4'" ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.917 1 P-O3'-C3' 125.302 4.668 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . 0.573 HO2' " H5'" ' B' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 C4'-C3'-C2' 99.221 -3.479 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . 0.592 HO2' " H5'" ' B' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 C4'-C3'-C2' 98.922 -3.778 . 0.68 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . 0.592 " H5'" HO2' ' B' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C4'-C3'-C2' 99.542 -3.158 . 0.551 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 C4'-C3'-C2' 99.619 -3.081 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.469 HO2' " H5'" ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 C4'-C3'-C2' 99.395 -3.305 . 0.868 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.518 HO2' " H5'" ' B' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.281 -3.419 . 0.787 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . 0.518 " H5'" HO2' ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 99.895 -2.805 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.436 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 9.9 tpp . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.2 tm? -128.51 108.1 10.26 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 171.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.424 ' CD1' ' HG2' ' C' ' 1' ' ' MET . 5.1 mp -103.25 141.12 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.486 0.714 . . . . 0.0 110.205 -174.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -161.56 173.19 15.14 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.041 0.536 . . . . 0.0 110.687 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.0 p -108.43 157.21 18.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.382 0.61 . . . . 0.0 110.81 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -148.65 138.86 22.42 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.984 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -80.78 153.11 27.94 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.43 136.99 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.98 -0.28 72.51 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.437 -0.646 . . . . 0.0 112.52 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -104.47 -178.03 3.54 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.162 0.981 . . . . 0.0 110.131 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 40.0 m -137.53 169.12 18.33 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -171.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 59.1 mt -144.16 167.59 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 126.426 1.89 . . . . 0.0 107.018 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -140.89 155.88 46.21 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 121.667 -0.646 . . . . 0.0 111.713 -177.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -140.15 147.56 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.981 0.912 . . . . 0.0 108.601 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.12 -135.11 44.16 Favored Glycine 0 C--N 1.337 0.625 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -134.45 12.61 3.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.998 0.519 . . . . 0.0 109.904 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -142.84 11.25 1.82 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.366 0.666 . . . . 0.0 111.729 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.41 149.45 33.67 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 CA-C-O 121.627 0.727 . . . . 0.0 110.322 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.0 m -137.77 154.39 49.59 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 36.0 mm -137.65 149.78 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 -176.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -141.66 149.79 41.07 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.37 86.0 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.52 -25.55 67.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -169.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -176.93 37.8 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.548 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.67 163.61 16.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 CA-C-O 121.834 0.825 . . . . 0.0 110.264 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -151.18 59.87 0.91 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.24 -133.81 18.77 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.12 -10.3 48.7 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.269 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -97.47 150.93 20.52 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.852 0.751 . . . . 0.0 109.662 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.06 141.68 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -105.91 130.04 53.94 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.4 155.39 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.086 -169.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.44 151.6 17.63 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -141.04 144.44 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -144.56 104.6 4.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -175.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.74 159.96 31.73 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 123.568 0.747 . . . . 0.0 109.822 -176.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.16 150.2 88.8 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 123.136 2.558 . . . . 0.0 110.235 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -64.43 -3.44 2.99 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.819 -0.551 . . . . 0.0 110.93 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.9 -6.25 15.78 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.965 0.906 . . . . 0.0 110.87 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -136.14 163.56 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.88 156.43 32.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.073 -0.392 . . . . 0.0 111.196 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 m -144.68 132.66 17.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -156.95 164.34 38.14 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.649 0.261 . . . . 0.0 110.905 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -69.94 151.04 46.08 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -59.75 -34.24 72.7 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -169.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -80.13 -13.89 58.92 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.38 -0.825 . . . . 0.0 111.781 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -90.55 -29.67 4.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 172.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.454 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 82.6 t80 -59.72 -37.06 77.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.457 0.703 . . . . 0.0 111.675 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -68.76 -17.78 64.1 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -84.94 -7.3 59.21 Favored 'General case' 0 C--N 1.341 0.229 0 C-N-CA 122.681 0.392 . . . . 0.0 110.265 176.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 86.9 mt -110.74 -42.87 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 122.715 0.406 . . . . 0.0 110.681 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.454 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 79.7 mm-40 -70.71 1.97 4.71 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.891 -0.506 . . . . 0.0 112.028 -178.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.06 -14.85 63.26 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.912 0.485 . . . . 0.0 111.947 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.29 14.91 0.06 OUTLIER Glycine 0 C--N 1.34 0.767 0 CA-C-O 119.316 -0.713 . . . . 0.0 114.093 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -152.7 -170.46 3.64 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.586 1.193 . . . . 0.0 111.507 -173.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 9.6 m -140.77 -4.96 1.19 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.511 0.324 . . . . 0.0 110.938 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.22 84.06 4.92 Favored Pre-proline 0 CA--C 1.532 0.27 0 O-C-N 122.118 -0.364 . . . . 0.0 110.502 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -49.03 -33.65 27.16 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 124.26 3.307 . . . . 0.0 113.431 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 N--CA 1.451 -0.419 0 C-N-CA 123.04 0.536 . . . . 0.0 110.072 -177.244 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.458 HO2' " H5'" ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.443 -3.257 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.458 " H5'" HO2' ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.233 -3.467 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.473 HO2' " H5'" ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.401 -3.299 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.473 " H5'" HO2' ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.537 -3.163 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 O4'-C1'-N19 111.608 3.408 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . 0.594 HO2' " H5'" ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 C4'-C3'-C2' 99.741 -2.959 . 0.628 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.594 " H5'" HO2' ' D' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 O4'-C1'-N19 111.19 2.99 . 0.634 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 O4'-C1'-N19 111.375 3.175 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.629 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 111.48 3.28 . 0.531 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.629 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 C4'-C3'-C2' 99.661 -3.039 . 0.017 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . 0.422 " H2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 C3'-C2'-C1' 104.241 3.046 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 C5'-C4'-C3' 111.62 -2.587 . 0.047 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . 0.404 ' C6 ' ' CE ' ' C' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.42 -2.738 1 C5'-C4'-C3' 105.416 -6.723 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 1 P-O3'-C3' 125.671 4.976 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . 0.573 HO2' " H5'" ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 99.0 -3.7 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.573 " H5'" HO2' ' D' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.572 1 C4'-C3'-C2' 98.551 -4.149 . 0.636 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . 0.576 HO2' " H5'" ' D' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.397 -3.303 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.576 " H5'" HO2' ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.898 -2.802 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.484 HO2' " H5'" ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.372 -3.328 . 0.837 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.484 " H5'" HO2' ' D' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C4'-C3'-C2' 99.419 -3.281 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C4'-C3'-C2' 99.847 -2.853 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.439 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 13.0 tpp . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.148 0.023 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.0 tm? -126.98 105.22 8.46 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.01 144.09 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.108 0.963 . . . . 0.0 110.365 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -162.3 173.77 13.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.654 0.782 . . . . 0.0 110.74 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -112.38 153.74 26.83 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.975 0.416 . . . . 0.0 110.995 176.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.52 164.87 30.3 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.579 1.152 . . . . 0.0 108.798 173.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -108.57 152.38 24.85 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.101 0.56 . . . . 0.0 109.526 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.8 m -58.43 114.64 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-O 120.926 0.393 . . . . 0.0 110.505 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.48 -12.06 13.96 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -91.02 -178.37 5.17 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 117.636 0.718 . . . . 0.0 111.158 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -140.55 171.86 13.52 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.32 0.581 . . . . 0.0 112.525 -173.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.4 mt -146.52 166.34 7.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 126.095 1.758 . . . . 0.0 106.828 -176.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -140.75 148.39 40.62 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.037 -0.414 . . . . 0.0 111.004 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -145.83 145.53 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 C-N-CA 123.18 0.592 . . . . 0.0 110.568 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.38 13.64 7.69 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.926 0.774 . . . . 0.0 114.374 171.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 56.06 11.8 0.81 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.375 1.07 . . . . 0.0 113.726 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -141.62 7.77 1.92 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.269 0.628 . . . . 0.0 110.528 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.96 144.9 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.6 m -135.32 150.81 50.06 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -133.44 147.56 31.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -140.35 124.94 18.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -78.47 94.4 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.74 -26.46 65.26 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.85 -171.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.0 -171.84 42.51 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.364 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.87 146.83 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.842 0.857 . . . . 0.0 110.035 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.8 m -147.06 67.08 1.15 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.658 1.183 . . . . 0.0 108.424 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.59 -131.5 14.57 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 -175.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.08 -23.57 67.2 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.641 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' HA ' ' HB3' ' C' ' 7' ' ' LYS . 13.3 tt0 -81.74 149.99 28.17 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.115 0.484 . . . . 0.0 110.141 -177.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -145.63 113.29 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -172.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -87.64 132.47 34.08 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -135.31 154.25 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -172.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.37 156.41 20.41 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.3 mt -136.22 144.51 32.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -176.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -141.33 107.97 5.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.19 159.22 33.16 Favored Pre-proline 0 N--CA 1.455 -0.222 0 C-N-CA 123.386 0.674 . . . . 0.0 109.819 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.43 154.45 68.37 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.119 2.546 . . . . 0.0 109.924 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.626 ' HE2' ' N3 ' ' D' ' 65' ' ' ' G' . 0.0 OUTLIER -70.03 -4.92 23.18 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 121.716 -0.615 . . . . 0.0 110.233 178.532 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.85 -6.7 17.32 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.73 1.212 . . . . 0.0 111.047 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.1 m -135.52 163.7 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.57 152.06 34.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.054 -0.404 . . . . 0.0 110.962 -174.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.86 131.51 15.39 Favored 'Isoleucine or valine' 0 C--N 1.337 0.057 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -156.17 162.8 40.16 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-O 120.937 0.399 . . . . 0.0 111.627 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -59.26 143.56 48.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 169.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -58.27 -27.66 64.23 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.181 0.446 . . . . 0.0 111.931 -174.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -63.86 -49.06 74.26 Favored 'General case' 0 CA--C 1.527 0.095 0 O-C-N 121.917 -0.489 . . . . 0.0 110.548 174.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.2 mm -72.98 -24.29 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 122.497 0.319 . . . . 0.0 110.545 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 75.2 t80 -62.31 -39.13 92.01 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -68.83 -20.63 64.31 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.943 -0.473 . . . . 0.0 111.895 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -77.37 -10.92 59.74 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.0 mt -109.97 -43.4 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 122.658 0.383 . . . . 0.0 110.773 -174.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 47.3 mm-40 -68.64 -0.09 4.81 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.056 -0.403 . . . . 0.0 111.698 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.45 -16.35 63.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.566 0.346 . . . . 0.0 111.648 176.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.95 15.68 0.09 OUTLIER Glycine 0 CA--C 1.528 0.888 0 CA-C-O 118.887 -0.952 . . . . 0.0 114.402 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -153.03 -177.81 6.53 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.99 1.395 . . . . 0.0 112.446 -172.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.3 p -145.15 10.68 1.31 Allowed 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.598 1.159 . . . . 0.0 110.769 174.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.55 127.76 6.29 Favored Pre-proline 0 N--CA 1.452 -0.341 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.9 172.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 124.754 3.636 . . . . 0.0 114.211 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 CA--C 1.533 0.309 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.571 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.421 HO2' " H5'" ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C5'-C4'-C3' 111.293 -2.805 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.421 " H5'" HO2' ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C4'-C3'-C2' 99.306 -3.394 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 99.35 -3.35 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . 0.438 HO2' " H5'" ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.645 -3.055 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.438 " H5'" HO2' ' B' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 98.87 -3.83 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 C4'-C3'-C2' 99.383 -3.317 . 0.558 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.848 0 O4'-C1'-N19 110.999 2.799 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 C4'-C3'-C2' 100.122 -2.578 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.513 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.654 1 C5'-C4'-C3' 108.932 -4.378 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.513 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 O4'-C1'-N19 111.256 3.056 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . 0.4 " O2'" ' HE3' ' C' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 O4'-C1'-N19 111.143 2.943 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 C5'-C4'-C3' 110.994 -3.004 . 0.155 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.025 1 C5'-C4'-C3' 109.051 -4.299 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C5'-C4'-C3' 110.14 -3.573 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . 0.522 HO2' " H5'" ' B' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 99.332 -3.368 . 0.618 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . 0.522 " H5'" HO2' ' B' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 98.91 -3.79 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.386 -3.314 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.463 HO2' " H5'" ' B' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.74 -2.96 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.488 HO2' " H5'" ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.607 -3.093 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.491 HO2' " H5'" ' B' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.483 -3.217 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . 0.491 " H5'" HO2' ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 C4'-C3'-C2' 99.954 -2.746 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.435 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 9.8 tpp . . . . . 0 N--CA 1.472 0.635 0 CA-C-O 120.386 0.136 . . . . 0.0 110.735 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -123.22 105.48 9.92 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.411 ' CD1' ' HG2' ' C' ' 1' ' ' MET . 4.9 mp -100.51 142.76 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.033 0.933 . . . . 0.0 110.434 -174.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.3 168.51 23.87 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.313 0.645 . . . . 0.0 110.503 174.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.2 p -107.59 151.36 25.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.626 0.727 . . . . 0.0 111.444 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.42 170.17 16.88 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 126.089 1.755 . . . . 0.0 106.578 173.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . 19.1 pttm -143.05 168.65 19.22 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 17.7 m -48.37 128.94 4.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.05 5.08 62.69 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 119.5 -0.611 . . . . 0.0 112.956 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -108.12 176.29 5.18 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.144 0.972 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.4 m -141.41 171.01 14.65 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.457 HG22 ' H ' ' C' ' 13' ' ' ASN . 8.5 mt -143.84 170.08 9.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 125.575 1.55 . . . . 0.0 107.124 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . 0.457 ' H ' HG22 ' C' ' 12' ' ' ILE . 11.0 t-20 -140.57 146.9 38.63 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 121.474 -0.766 . . . . 0.0 110.758 -178.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -145.86 142.84 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 123.618 0.767 . . . . 0.0 110.341 -176.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.52 10.42 5.91 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.122 0.868 . . . . 0.0 114.789 171.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.4 t0 55.56 14.32 1.18 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.099 0.95 . . . . 0.0 113.508 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -140.88 6.83 2.03 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.317 0.647 . . . . 0.0 110.108 174.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.79 147.85 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -139.74 152.82 46.94 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 mm -130.92 148.01 33.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -142.97 125.56 15.84 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -79.37 95.19 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.9 mt -70.72 -27.07 63.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -171.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.77 177.12 40.54 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.209 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.48 149.29 32.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 C-N-CA 123.126 0.571 . . . . 0.0 110.454 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.1 p -151.08 78.85 1.3 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.82 0.848 . . . . 0.0 109.103 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.3 -141.97 36.55 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.12 -10.85 44.73 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 118.931 -0.557 . . . . 0.0 111.495 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -97.87 148.69 23.17 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 118.8 0.727 . . . . 0.0 109.605 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 23.2 t -137.09 138.68 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -104.4 127.38 52.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -132.09 153.26 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -171.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.47 155.27 19.94 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 1' ' ' MET . 67.4 mt -135.24 144.65 33.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -178.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -138.08 109.14 6.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.66 159.14 32.43 Favored Pre-proline 0 C--O 1.234 0.277 0 C-N-CA 123.578 0.751 . . . . 0.0 109.584 -177.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.413 ' C ' ' H ' ' C' ' 39' ' ' ASP . 36.4 Cg_endo -65.54 152.22 82.49 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.981 2.454 . . . . 0.0 110.443 173.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . 0.4 ' HE3' " O2'" ' B' ' 65' ' ' ' G' . 22.0 mmtp -63.98 -1.5 1.5 Allowed 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 173.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' C' ' 37' ' ' PRO . 24.9 t70 -66.26 -10.78 45.52 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.375 1.07 . . . . 0.0 110.502 174.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -138.36 169.09 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.625 1.17 . . . . 0.0 108.187 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.49 155.46 34.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.277 -0.264 . . . . 0.0 110.819 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -144.07 128.37 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -156.72 156.8 34.0 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 ptt-85 -64.08 155.65 30.72 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 170.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.01 -23.24 61.76 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -170.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -69.29 -52.55 26.4 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 118.536 0.607 . . . . 0.0 110.972 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 25.4 mm -65.51 -26.65 39.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.099 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.407 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 76.3 t80 -62.81 -39.06 93.14 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 122.665 0.386 . . . . 0.0 110.68 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -71.7 -15.96 62.22 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.98 -0.45 . . . . 0.0 111.536 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -84.37 -8.5 58.97 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 122.948 0.499 . . . . 0.0 110.262 174.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -110.39 -44.95 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 122.426 0.29 . . . . 0.0 110.713 -175.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.407 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 54.8 mm-40 -66.52 -1.91 4.12 Favored 'General case' 0 C--N 1.339 0.111 0 O-C-N 121.965 -0.46 . . . . 0.0 111.558 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.49 -16.32 63.54 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.122 0.569 . . . . 0.0 111.593 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.34 14.33 0.06 OUTLIER Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.871 -0.96 . . . . 0.0 114.661 175.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -154.64 178.72 9.79 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.357 1.578 . . . . 0.0 112.59 -172.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 40.5 p -148.26 9.4 0.85 Allowed 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.676 0.79 . . . . 0.0 110.742 174.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.83 122.58 3.96 Favored Pre-proline 0 N--CA 1.451 -0.377 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -50.67 -36.45 50.79 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 124.152 3.234 . . . . 0.0 113.33 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 N--CA 1.455 -0.205 0 C-N-CA 122.722 0.409 . . . . 0.0 110.912 -176.264 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C5'-C4'-C3' 111.148 -2.901 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.398 -3.302 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C4'-C3'-C2' 99.548 -3.152 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.422 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.455 0 C4'-C3'-C2' 99.53 -3.17 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.422 " H5'" HO2' ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 98.805 -3.895 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 99.424 -3.276 . 0.558 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.658 HO2' " H5'" ' D' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 111.524 3.324 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . 0.658 " H5'" HO2' ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C5'-C4'-C3' 111.612 -2.592 . 0.732 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.523 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.546 1 C5'-C4'-C3' 108.779 -4.481 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.523 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 C4'-C3'-C2' 99.911 -2.789 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . 0.626 ' N3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.925 0 C3'-C2'-C1' 105.061 3.957 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 C5'-C4'-C3' 111.103 -2.931 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 1 C5'-C4'-C3' 105.268 -6.821 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 1 P-O3'-C3' 125.596 4.913 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . 0.586 HO2' " H5'" ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.32 -3.38 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.586 " H5'" HO2' ' D' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 C4'-C3'-C2' 98.947 -3.753 . 0.688 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . 0.547 HO2' " H5'" ' D' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.356 -3.344 . 0.557 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.547 " H5'" HO2' ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 99.902 -2.798 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.465 HO2' " H5'" ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.646 -3.054 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.484 HO2' " H5'" ' D' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C4'-C3'-C2' 99.482 -3.218 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . 0.484 " H5'" HO2' ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.881 -2.819 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mmm . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 121.178 0.513 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -136.03 113.84 11.13 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 168.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -112.76 141.19 29.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 123.555 0.742 . . . . 0.0 110.244 -172.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -160.88 166.55 28.27 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.03 0.532 . . . . 0.0 110.492 175.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.1 p -102.99 157.16 17.17 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.206 0.527 . . . . 0.0 111.21 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -146.05 164.5 31.93 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.851 1.66 . . . . 0.0 107.875 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -118.72 158.69 25.06 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.424 HG13 HG13 ' A' ' 25' ' ' VAL . 18.3 m -53.66 121.35 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.49 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.34 8.76 35.05 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 119.767 -0.463 . . . . 0.0 112.764 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -116.01 179.83 3.87 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.025 0.912 . . . . 0.0 110.184 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -140.59 169.94 16.72 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 121.76 0.79 . . . . 0.0 112.669 -172.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.1 mm -142.76 163.36 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 126.94 2.096 . . . . 0.0 106.631 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -137.94 154.84 49.37 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.662 -0.649 . . . . 0.0 111.781 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -141.14 144.43 26.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.48 -136.3 40.18 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -134.87 15.11 3.6 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.216 0.606 . . . . 0.0 109.987 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -141.14 8.52 2.06 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.612 0.765 . . . . 0.0 111.831 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.92 147.48 33.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 118.807 0.731 . . . . 0.0 110.848 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.5 m -140.39 154.62 46.76 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.217 1.007 . . . . 0.0 108.374 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -135.67 149.72 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -143.51 151.84 40.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.06 89.89 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.0 mt -69.26 -23.64 63.88 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -170.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.62 -176.43 44.14 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.744 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.424 HG13 HG13 ' A' ' 8' ' ' VAL . 9.2 p -141.07 144.76 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 123.777 0.831 . . . . 0.0 109.531 -175.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 m -149.95 73.7 1.18 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.764 0.826 . . . . 0.0 108.837 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.11 -139.39 29.46 Favored Glycine 0 C--N 1.338 0.685 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.27 -16.58 64.14 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.789 176.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.95 151.11 24.46 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 119.062 0.846 . . . . 0.0 109.076 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -143.7 133.18 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -99.1 130.25 45.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -128.4 153.89 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -169.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.37 152.92 17.49 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.5 mt -141.01 143.19 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -143.98 104.51 4.16 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.64 159.69 33.93 Favored Pre-proline 0 N--CA 1.451 -0.42 0 C-N-CA 124.125 0.97 . . . . 0.0 109.389 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -65.19 152.28 82.72 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.874 2.383 . . . . 0.0 110.316 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -69.57 -1.97 10.2 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.13 -0.356 . . . . 0.0 110.516 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -69.09 -7.16 33.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.985 0.914 . . . . 0.0 110.421 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.47 169.21 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.15 155.56 34.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.169 -0.332 . . . . 0.0 111.634 -172.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -146.73 131.41 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -158.18 169.11 25.25 Favored 'General case' 0 C--O 1.232 0.132 0 O-C-N 121.592 -0.693 . . . . 0.0 112.003 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.18 150.78 28.86 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.639 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.89 -23.98 65.62 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 122.302 -0.249 . . . . 0.0 111.109 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -78.91 -42.89 25.98 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.307 -0.246 . . . . 0.0 110.681 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -70.31 -33.76 55.59 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 C-N-CA 122.828 0.451 . . . . 0.0 110.029 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.534 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 79.1 t80 -57.59 -34.12 68.9 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.291 0.637 . . . . 0.0 111.58 -177.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -70.28 -17.56 63.1 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -86.13 -9.97 55.69 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 122.789 0.436 . . . . 0.0 110.49 176.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.9 mt -110.45 -33.84 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.07 0 C-N-CA 122.875 0.47 . . . . 0.0 110.865 -172.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 62.1 mm-40 -82.63 3.32 29.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.223 -0.298 . . . . 0.0 111.013 176.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.61 -17.87 64.91 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.01 21.87 0.09 OUTLIER Glycine 0 CA--C 1.527 0.786 0 CA-C-O 118.849 -0.973 . . . . 0.0 114.237 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.38 -28.6 0.4 Allowed 'General case' 0 CA--C 1.527 0.086 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -173.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 m 35.73 40.07 0.08 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.141 0.976 . . . . 0.0 113.181 -172.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.54 83.0 6.58 Favored Pre-proline 0 N--CA 1.454 -0.227 0 C-N-CA 123.384 0.674 . . . . 0.0 110.142 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -46.55 -29.61 7.65 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 125.177 3.918 . . . . 0.0 114.714 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.2 t0 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -172.364 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.447 HO2' " H5'" ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 C4'-C3'-C2' 99.794 -2.906 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.447 " H5'" HO2' ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.486 0 C4'-C3'-C2' 99.396 -3.304 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.435 -3.265 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . 0.461 HO2' " H5'" ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 O4'-C1'-N19 111.284 3.084 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.598 HO2' " H5'" ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C4'-C3'-C2' 99.044 -3.656 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . 0.598 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.86 0 C4'-C3'-C2' 98.876 -3.824 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.587 " H5'" HO2' ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.919 -2.781 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . 0.587 " H5'" HO2' ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 100.341 -2.359 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.539 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 112.035 3.835 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.539 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.833 -2.867 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 N19-C1'-C2' 109.438 -2.476 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . 0.407 ' C6 ' " H1'" ' B' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C5'-C4'-C3' 111.846 -2.436 . 0.145 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 1 C5'-C4'-C3' 107.073 -5.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . 0.424 HO2' " H5'" ' B' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C5'-C4'-C3' 110.217 -3.522 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . 0.424 " H5'" HO2' ' B' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.589 -3.111 . 0.543 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 C4'-C3'-C2' 98.957 -3.743 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.342 -3.358 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.445 HO2' " H5'" ' B' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.835 -2.865 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.487 HO2' " H5'" ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.44 -3.26 . 0.846 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.525 HO2' " H5'" ' B' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.573 -3.127 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . 0.525 " H5'" HO2' ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 O4'-C1'-N19 111.159 2.959 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmm . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 119.987 -0.054 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.81 115.18 16.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.0 138.88 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.91 0.884 . . . . 0.0 109.874 -172.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -160.91 168.06 25.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.844 0.458 . . . . 0.0 110.644 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.9 p -107.24 157.26 18.04 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.481 0.657 . . . . 0.0 111.575 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.86 164.92 31.31 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.249 1.819 . . . . 0.0 107.19 175.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -117.37 161.97 18.68 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 171.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.41 HG11 HG11 ' C' ' 25' ' ' VAL . 20.0 m -51.59 128.31 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.589 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.69 8.68 57.04 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.499 -0.611 . . . . 0.0 112.761 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -113.67 176.1 5.17 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.42 1.11 . . . . 0.0 110.59 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.3 m -139.55 169.16 18.26 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -171.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.4 mm -141.24 161.52 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 127.012 2.125 . . . . 0.0 106.94 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -134.86 154.32 51.69 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.676 -0.64 . . . . 0.0 111.293 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -141.13 139.59 33.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.56 -131.41 46.55 Favored Glycine 0 C--N 1.337 0.629 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -139.41 17.61 2.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.396 0.679 . . . . 0.0 109.46 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -142.35 6.94 1.73 Allowed 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.94 0.496 . . . . 0.0 111.703 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.04 146.34 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.003 0.82 . . . . 0.0 110.783 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 61.9 m -140.99 152.95 45.33 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.0 mm -136.58 148.45 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -144.33 143.51 31.01 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.882 0.372 . . . . 0.0 110.108 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -97.77 93.43 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.24 -28.01 66.85 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.662 -170.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.93 -178.39 44.19 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.334 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . 0.41 HG11 HG11 ' C' ' 8' ' ' VAL . 11.4 p -137.17 146.13 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.485 0.714 . . . . 0.0 109.654 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -147.89 71.61 1.19 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.561 1.144 . . . . 0.0 108.458 -177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.58 -137.89 26.6 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -66.0 -18.01 65.06 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.584 -0.722 . . . . 0.0 110.783 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.4 149.34 26.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 119.075 0.852 . . . . 0.0 109.253 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.6 t -143.4 129.8 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -97.26 130.37 44.47 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -129.87 147.17 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 O-C-N 123.446 0.466 . . . . 0.0 109.906 -170.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.01 150.41 18.63 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 66.7 mt -137.45 144.43 31.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -144.18 105.98 4.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -176.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.28 158.66 34.41 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.576 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.65 153.01 79.5 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.767 2.311 . . . . 0.0 110.702 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -69.61 -2.04 10.52 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.221 -0.299 . . . . 0.0 110.545 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.1 -7.8 44.35 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.909 0.883 . . . . 0.0 110.546 172.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -136.86 169.62 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.25 157.59 26.75 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 122.21 -0.306 . . . . 0.0 111.822 -173.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 m -148.68 131.35 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 N-CA-C 108.336 -0.986 . . . . 0.0 108.336 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -158.03 166.8 31.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.52 0.676 . . . . 0.0 112.71 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.488 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 52.1 ttt180 -63.63 146.84 53.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.577 -1.192 . . . . 0.0 107.976 169.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -57.76 -23.85 54.21 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . 0.488 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 13.0 tp10 -72.93 -45.06 60.19 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.072 -0.392 . . . . 0.0 110.361 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 mm -72.28 -30.48 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 C-N-CA 122.866 0.467 . . . . 0.0 110.406 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.466 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 77.7 t80 -59.57 -35.57 74.52 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.154 0.982 . . . . 0.0 111.718 -176.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -70.25 -17.45 63.12 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -176.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -82.17 -9.54 59.48 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 122.966 0.506 . . . . 0.0 110.475 175.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 85.5 mt -110.54 -43.79 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 122.427 0.291 . . . . 0.0 110.504 -172.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.466 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 62.6 mm-40 -68.99 0.02 5.06 Favored 'General case' 0 CA--C 1.529 0.136 0 O-C-N 121.889 -0.507 . . . . 0.0 111.69 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.03 -17.26 64.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.003 0.521 . . . . 0.0 111.659 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.25 15.29 0.07 OUTLIER Glycine 0 CA--C 1.528 0.877 0 CA-C-O 118.843 -0.976 . . . . 0.0 114.195 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -155.37 -179.03 7.7 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.805 1.303 . . . . 0.0 113.282 -172.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 26.2 p -147.65 4.43 0.77 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.902 0.881 . . . . 0.0 110.745 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.85 73.63 6.45 Favored Pre-proline 0 CA--C 1.536 0.409 0 C-N-CA 122.89 0.476 . . . . 0.0 110.649 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -53.77 -170.84 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 124.76 3.64 . . . . 0.0 115.733 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 CA--C 1.533 0.311 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.193 -176.334 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.414 HO2' " H5'" ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.899 -2.801 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.496 HO2' " H5'" ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C4'-C3'-C2' 99.272 -3.428 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.496 " H5'" HO2' ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.346 -3.354 . 0.773 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.479 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 O4'-C1'-N19 111.61 3.41 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.479 " H5'" HO2' ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 98.985 -3.715 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 C4'-C3'-C2' 99.445 -3.255 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.582 HO2' " H5'" ' D' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.834 -2.866 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . 0.582 " H5'" HO2' ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 C4'-C3'-C2' 99.875 -2.825 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.505 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C5'-C4'-C3' 109.583 -3.944 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.505 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 C4'-C3'-C2' 99.755 -2.945 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.717 0 O4'-C1'-N19 110.774 2.574 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . 0.571 " C2'" H5'' ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 C3'-C2'-C1' 104.734 3.594 . 0.492 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . 0.571 H5'' " C2'" ' D' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.372 2 O5'-C5'-C4' 118.294 5.782 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . 0.543 " C5'" " H4'" ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.011 1 P-O3'-C3' 125.08 4.483 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . 0.524 HO2' " H5'" ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 C4'-C3'-C2' 99.369 -3.331 . 0.748 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.632 HO2' " H5'" ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 98.714 -3.986 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . 0.632 " H5'" HO2' ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.206 -3.494 . 0.567 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.421 HO2' " H5'" ' D' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.979 -2.721 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.481 HO2' " H5'" ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 O4'-C1'-N19 111.33 3.13 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.5 HO2' " H5'" ' D' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 C4'-C3'-C2' 99.511 -3.189 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . 0.5 " H5'" HO2' ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.718 -2.982 . 0.779 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 mmm . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.151 0.5 . . . . 0.0 111.512 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -135.67 111.91 9.74 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 169.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.38 151.22 9.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 C-N-CA 123.663 0.785 . . . . 0.0 110.255 -171.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -149.68 175.55 11.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.237 1.015 . . . . 0.0 111.508 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -129.28 117.45 20.7 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 168.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -112.51 164.47 13.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -120.17 158.2 27.45 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.367 0.604 . . . . 0.0 110.168 171.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -53.24 129.73 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.897 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.91 8.79 58.93 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.605 -0.553 . . . . 0.0 112.549 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -118.03 -179.26 3.71 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 117.886 0.843 . . . . 0.0 110.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.8 m -139.79 170.54 15.69 Favored 'General case' 0 C--N 1.339 0.145 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -171.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.9 mt -143.23 165.62 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 126.163 1.785 . . . . 0.0 107.07 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -137.46 154.39 49.92 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.507 -0.746 . . . . 0.0 112.002 -175.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.22 139.77 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.063 0.945 . . . . 0.0 108.537 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.92 -134.2 40.27 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -137.52 17.73 2.91 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.467 0.707 . . . . 0.0 109.266 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -140.32 6.75 2.14 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.723 0.409 . . . . 0.0 111.526 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -132.55 147.14 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 CA-C-N 118.643 0.656 . . . . 0.0 110.552 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -139.84 153.54 47.09 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.5 mm -133.58 149.37 30.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -176.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m -141.21 154.16 45.67 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -117.91 86.74 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -66.46 -25.54 66.77 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -169.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.2 -177.07 41.35 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.714 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.4 m -129.34 162.11 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-O 121.214 0.53 . . . . 0.0 110.283 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -150.61 67.46 0.95 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 176.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.35 -134.55 21.29 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -65.76 -17.11 64.39 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.78 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.11 149.89 25.23 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.4 t -142.45 128.95 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -92.8 127.48 38.32 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -126.77 155.17 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -171.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.73 152.19 18.41 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.1 mt -141.08 143.15 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -143.89 102.55 3.91 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.18 159.23 33.15 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.679 0.792 . . . . 0.0 109.685 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.94 152.26 81.62 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.152 2.568 . . . . 0.0 110.977 175.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -65.13 -5.42 6.63 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 121.989 -0.444 . . . . 0.0 110.663 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.6 -6.46 15.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.865 0.866 . . . . 0.0 110.912 174.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -136.08 161.26 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.74 153.4 30.37 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 122.172 -0.33 . . . . 0.0 110.706 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.3 m -144.08 131.14 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -157.72 159.76 37.2 Favored 'General case' 0 N--CA 1.461 0.12 0 O-C-N 122.187 -0.321 . . . . 0.0 110.312 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -61.44 149.61 38.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 170.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.51 -24.35 65.25 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -171.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -73.46 -42.9 61.36 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.769 -0.582 . . . . 0.0 110.274 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mp -71.52 -28.23 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 122.916 0.486 . . . . 0.0 109.697 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.481 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 79.1 t80 -59.99 -37.24 79.07 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 122.298 0.239 . . . . 0.0 111.053 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -69.44 -18.18 63.71 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -84.76 -8.54 58.79 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 122.927 0.491 . . . . 0.0 110.225 176.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.9 mt -110.7 -40.64 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 122.57 0.348 . . . . 0.0 110.331 -174.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 63.0 mm-40 -72.74 2.92 5.73 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 122.094 -0.378 . . . . 0.0 111.913 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.58 -15.29 63.32 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.171 0.588 . . . . 0.0 111.895 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.84 15.58 0.07 OUTLIER Glycine 0 CA--C 1.529 0.961 0 CA-C-O 119.254 -0.748 . . . . 0.0 114.031 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -153.34 -167.44 2.71 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.579 1.189 . . . . 0.0 111.799 -173.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.4 m -135.2 -11.5 2.19 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.726 0.411 . . . . 0.0 110.939 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.74 97.84 2.3 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 123.059 0.543 . . . . 0.0 109.634 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -53.11 169.86 0.37 Allowed 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 124.372 3.381 . . . . 0.0 113.873 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 N--CA 1.454 -0.24 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.708 -178.829 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.445 HO2' " H5'" ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 99.784 -2.916 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.51 HO2' " H5'" ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.511 -3.189 . 0.833 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . 0.51 " H5'" HO2' ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 99.264 -3.436 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 O4'-C1'-N19 111.57 3.37 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.614 HO2' " H5'" ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C4'-C3'-C2' 98.855 -3.845 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . 0.614 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C4'-C3'-C2' 99.471 -3.229 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.583 " H5'" HO2' ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 O4'-C1'-N19 111.007 2.807 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . 0.58 " H5'" HO2' ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 O4'-C1'-N19 110.595 2.395 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.476 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.737 1 C5'-C4'-C3' 109.39 -4.073 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.476 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.873 -2.827 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 O4'-C1'-N19 110.828 2.628 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.863 0 C5'-C4'-C3' 111.895 -2.403 . 0.148 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 1 C5'-C4'-C3' 104.922 -7.052 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . 0.403 HO2' " H5'" ' B' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.0 1 P-O3'-C3' 125.771 5.059 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . 0.403 " H5'" HO2' ' B' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.453 0 C4'-C3'-C2' 99.363 -3.337 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . 0.644 HO2' " H5'" ' B' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 C4'-C3'-C2' 98.72 -3.98 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . 0.644 " H5'" HO2' ' B' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.397 -3.303 . 0.542 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.542 " H5'" HO2' ' B' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.813 -2.887 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.435 " H5'" HO2' ' B' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.733 -2.967 . 0.851 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.508 HO2' " H5'" ' B' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.521 -3.179 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . 0.508 " H5'" HO2' ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.765 -2.935 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 119.547 -0.263 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -128.93 115.09 17.3 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.43 HD12 " H5'" ' D' ' 67' ' ' ' C' . 4.9 mp -114.17 137.02 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.629 0.772 . . . . 0.0 109.395 -172.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.8 175.24 12.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.732 175.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -115.13 151.4 34.41 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.476 0.655 . . . . 0.0 111.54 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -145.51 166.15 26.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.953 1.701 . . . . 0.0 106.865 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -117.36 161.3 19.76 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.421 HG12 HG12 ' C' ' 25' ' ' VAL . 29.6 m -49.13 129.03 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.681 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.61 9.81 59.69 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.939 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -116.28 174.11 6.23 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.456 1.128 . . . . 0.0 110.361 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 52.6 m -138.34 170.49 15.93 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -169.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 44.4 mt -143.99 166.94 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 125.974 1.71 . . . . 0.0 107.005 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -138.08 150.73 47.16 Favored 'General case' 0 C--N 1.334 -0.093 0 O-C-N 121.71 -0.619 . . . . 0.0 111.063 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -147.4 143.27 19.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 123.459 0.704 . . . . 0.0 110.3 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.5 12.17 8.69 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.148 0.88 . . . . 0.0 114.975 171.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.5 t0 56.09 13.13 1.09 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -141.39 5.33 1.84 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.253 0.621 . . . . 0.0 110.694 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.22 148.15 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.8 m -138.11 152.38 48.7 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.2 mm -133.28 148.16 31.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.5 m -145.87 127.35 15.04 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -79.42 93.53 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.35 -27.44 67.13 Favored 'General case' 0 N--CA 1.458 -0.073 0 O-C-N 122.295 -0.253 . . . . 0.0 111.589 -172.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.25 179.42 41.75 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . 0.421 HG12 HG12 ' C' ' 8' ' ' VAL . 11.4 p -134.47 145.15 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -147.84 72.18 1.22 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.45 -139.57 30.71 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -66.57 -16.81 64.44 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.09 -0.481 . . . . 0.0 111.174 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.84 147.02 27.02 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.83 123.21 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -89.63 130.51 35.91 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.51 149.05 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -171.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.2 152.96 17.75 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -138.62 144.45 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -144.22 106.03 4.31 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.77 158.07 40.1 Favored Pre-proline 0 CA--C 1.531 0.231 0 C-N-CA 123.592 0.757 . . . . 0.0 109.516 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.25 150.88 81.62 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.644 2.229 . . . . 0.0 110.117 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -67.49 -2.38 6.38 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.169 -0.332 . . . . 0.0 110.965 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.59 -7.89 42.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.592 0.757 . . . . 0.0 110.566 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -136.99 168.77 21.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.8 155.03 28.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 122.358 -0.214 . . . . 0.0 111.362 -173.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.4 m -146.33 130.45 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -155.53 159.61 39.86 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.163 0.506 . . . . 0.0 111.254 175.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -62.7 147.87 48.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 171.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -59.71 -23.82 63.46 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -78.37 -24.5 46.35 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 122.03 -0.419 . . . . 0.0 111.025 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.36 -33.72 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.068 0 C-N-CA 123.15 0.58 . . . . 0.0 109.466 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.493 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 78.0 t80 -57.5 -36.23 71.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.361 0.664 . . . . 0.0 111.295 -178.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -68.61 -18.8 64.38 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -81.88 -9.83 59.48 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 118.034 0.379 . . . . 0.0 110.112 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 77.7 mt -110.42 -42.29 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 122.762 0.425 . . . . 0.0 110.618 -173.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.493 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 55.0 mm-40 -70.57 1.7 4.88 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 122.105 -0.372 . . . . 0.0 111.582 -179.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.4 -16.5 64.13 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.834 0.454 . . . . 0.0 111.329 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.2 16.95 0.09 OUTLIER Glycine 0 C--N 1.34 0.758 0 CA-C-O 119.001 -0.888 . . . . 0.0 114.516 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -154.28 -175.68 5.51 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.977 1.388 . . . . 0.0 112.524 -172.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 20.4 p -144.36 10.58 1.47 Allowed 'General case' 0 N--CA 1.461 0.078 0 C-N-CA 124.436 1.094 . . . . 0.0 110.486 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.53 126.22 6.73 Favored Pre-proline 0 N--CA 1.451 -0.408 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.7 167.96 0.24 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 124.524 3.483 . . . . 0.0 114.819 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 CA--C 1.532 0.26 0 C-N-CA 124.485 1.114 . . . . 0.0 112.544 -179.582 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C5'-C4'-C3' 111.519 -2.654 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.385 -3.315 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.484 HO2' " H5'" ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 99.102 -3.598 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.484 " H5'" HO2' ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C4'-C3'-C2' 99.423 -3.277 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.483 " H5'" HO2' ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C4'-C3'-C2' 99.338 -3.362 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . 0.523 HO2' " H5'" ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.422 -3.278 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.576 HO2' " H5'" ' D' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.86 0 C4'-C3'-C2' 99.592 -3.108 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . 0.576 " H5'" HO2' ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 O4'-C1'-N19 111.391 3.191 . 0.524 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.602 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 O4'-C1'-N19 110.809 2.609 . 0.362 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.602 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C4'-C3'-C2' 99.586 -3.114 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 O4'-C1'-N19 111.534 3.334 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . 0.558 " C2'" H5'' ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.234 1 C3'-C2'-C1' 105.12 4.022 . 0.515 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . 0.558 H5'' " C2'" ' D' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.444 1 O5'-C5'-C4' 119.018 6.299 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . 0.477 H5'' " H4'" ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.709 1 C5'-C4'-C3' 108.948 -4.368 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . 0.526 HO2' " H5'" ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.214 -3.486 . 0.515 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.526 " H5'" HO2' ' D' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.438 1 C4'-C3'-C2' 98.508 -4.192 . 0.704 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . 0.533 HO2' " H5'" ' D' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 99.04 -3.66 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.533 " H5'" HO2' ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.395 -3.305 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.436 " H5'" HO2' ' D' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C4'-C3'-C2' 99.528 -3.172 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.505 HO2' " H5'" ' D' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 C4'-C3'-C2' 99.349 -3.351 . 0.816 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . 0.505 " H5'" HO2' ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 O4'-C1'-N19 110.936 2.736 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.414 ' HG3' ' N ' ' A' ' 2' ' ' LEU . 13.0 tpp . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.466 0.175 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.7 tm? -126.06 107.09 10.09 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 171.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -100.74 144.37 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.182 0.993 . . . . 0.0 110.249 -175.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pp -163.67 175.69 10.35 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.584 0.754 . . . . 0.0 110.846 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.9 p -117.15 156.47 27.58 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 121.523 0.678 . . . . 0.0 111.218 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.89 164.23 32.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.341 1.456 . . . . 0.0 108.005 172.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -106.58 153.36 22.46 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.3 m -57.92 114.77 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.05 9.41 15.89 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.356 -0.691 . . . . 0.0 112.696 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -118.63 -179.53 3.83 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.278 1.039 . . . . 0.0 110.747 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -139.82 172.04 13.35 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -169.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.7 mt -152.52 167.48 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 126.742 2.017 . . . . 0.0 107.311 -172.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -143.39 154.71 44.0 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.154 0.502 . . . . 0.0 111.789 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.8 mt -139.26 143.61 30.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.86 -134.78 43.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -176.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -137.39 17.88 2.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -141.68 7.96 1.92 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.585 0.754 . . . . 0.0 111.526 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.48 147.12 33.16 Favored 'Isoleucine or valine' 0 C--N 1.339 0.144 0 CA-C-N 118.664 0.665 . . . . 0.0 110.166 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 m -140.77 153.96 46.07 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.256 1.022 . . . . 0.0 108.608 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -137.81 146.57 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 m -141.19 128.22 20.72 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -81.0 98.1 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.25 -24.08 60.42 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.11 -172.64 40.8 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.316 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.2 146.05 21.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.866 0.866 . . . . 0.0 110.586 -173.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 m -150.85 99.81 2.75 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.131 0.972 . . . . 0.0 108.882 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.51 -126.62 38.04 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 -175.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -89.82 -9.6 48.54 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 117.783 0.791 . . . . 0.0 109.386 175.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -74.18 151.45 40.0 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.3 t -146.8 114.73 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -86.57 129.31 34.91 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.49 HD12 HH22 ' C' ' 6' ' ' ARG . 1.3 mt -136.55 150.04 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.87 156.31 15.74 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.9 mt -135.71 144.31 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -142.09 109.81 5.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.35 159.94 32.66 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.615 0.766 . . . . 0.0 109.121 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.1 153.31 78.62 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.903 2.402 . . . . 0.0 110.254 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -70.4 -1.29 10.24 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.057 -0.402 . . . . 0.0 110.569 176.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.1 -7.19 33.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.669 0.788 . . . . 0.0 110.758 171.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -137.24 169.27 19.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.079 0.952 . . . . 0.0 108.487 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.86 160.63 28.34 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.029 -0.419 . . . . 0.0 112.071 -172.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -145.81 133.95 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -156.5 164.1 38.63 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 122.104 -0.372 . . . . 0.0 110.345 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -68.15 153.44 43.73 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 172.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -57.7 -23.91 54.07 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.94 -44.16 55.86 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.276 0.489 . . . . 0.0 110.386 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -72.58 -31.21 36.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 121.145 0.497 . . . . 0.0 109.99 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.451 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 82.7 t80 -60.75 -35.44 76.4 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.603 0.761 . . . . 0.0 111.825 -177.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -72.38 -16.54 61.85 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -84.77 -7.67 59.11 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 122.96 0.504 . . . . 0.0 109.909 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.9 mt -110.94 -45.05 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 122.301 0.241 . . . . 0.0 110.645 -173.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 77.9 mm-40 -69.09 0.88 4.07 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.4 -15.21 63.55 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.11 0.564 . . . . 0.0 112.059 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.9 12.97 0.05 OUTLIER Glycine 0 C--N 1.342 0.892 0 CA-C-O 119.311 -0.716 . . . . 0.0 114.076 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -152.8 -169.74 3.43 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.698 1.249 . . . . 0.0 110.957 -174.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 m -135.43 -2.05 2.51 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 122.622 0.369 . . . . 0.0 110.914 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.32 121.38 3.62 Favored Pre-proline 0 N--CA 1.454 -0.252 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -48.5 -31.04 17.22 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 124.371 3.381 . . . . 0.0 114.074 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -175.564 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.439 HO2' " H5'" ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C5'-C4'-C3' 111.119 -2.921 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.491 HO2' " H5'" ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 C4'-C3'-C2' 99.178 -3.522 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . 0.491 " H5'" HO2' ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 C4'-C3'-C2' 99.163 -3.537 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . 0.488 " H5'" HO2' ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.395 -3.305 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.629 HO2' " H5'" ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 C4'-C3'-C2' 98.904 -3.796 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . 0.629 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C4'-C3'-C2' 99.664 -3.036 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.601 " H5'" HO2' ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 111.203 3.003 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 100.26 -2.44 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.528 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.719 1 C5'-C4'-C3' 108.952 -4.366 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.528 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 O4'-C1'-N19 110.931 2.731 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C3'-C2'-C1' 103.761 2.512 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C5'-C4'-C3' 110.918 -3.054 . 0.103 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 1 C5'-C4'-C3' 108.842 -4.439 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C5'-C4'-C3' 110.052 -3.632 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . 0.533 HO2' " H5'" ' B' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.375 -3.325 . 0.556 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . 0.533 " H5'" HO2' ' B' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 98.733 -3.967 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . 0.54 HO2' " H5'" ' B' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C4'-C3'-C2' 99.04 -3.66 . 0.553 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.54 " H5'" HO2' ' B' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.828 -2.872 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.485 HO2' " H5'" ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.447 -3.253 . 0.852 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.52 HO2' " H5'" ' B' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.466 -3.234 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . 0.52 " H5'" HO2' ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.936 -2.764 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.418 ' HG2' ' CD1' ' C' ' 3' ' ' ILE . 9.0 tpp . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.777 -0.083 . . . . 0.0 110.777 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -119.53 106.0 11.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 169.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.428 HD11 ' C8 ' ' D' ' 66' ' ' ' A' . 4.9 mp -91.3 149.98 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 24.4 mt -143.2 168.41 19.83 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -145.12 112.18 6.0 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.49 HH22 HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -141.27 164.82 29.21 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.436 174.692 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -105.02 176.65 5.09 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -169.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 21.7 m -53.62 142.24 7.18 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.668 -175.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.66 -16.48 57.96 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.388 -0.673 . . . . 0.0 112.943 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -75.7 176.95 7.22 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.624 1.212 . . . . 0.0 111.164 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.7 m -144.4 159.49 42.64 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.313 0.645 . . . . 0.0 110.441 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 mm -143.68 164.88 14.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.025 1.33 . . . . 0.0 107.836 -176.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -140.07 154.53 47.09 Favored 'General case' 0 N--CA 1.457 -0.082 0 O-C-N 121.644 -0.66 . . . . 0.0 112.189 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -139.99 145.63 26.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 124.45 1.1 . . . . 0.0 108.787 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.38 -137.39 41.96 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -134.96 16.33 3.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.083 0.553 . . . . 0.0 109.915 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -142.67 9.55 1.78 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.755 0.822 . . . . 0.0 111.97 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.56 146.65 33.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 118.939 0.79 . . . . 0.0 110.866 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 60.5 m -138.47 154.71 48.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.189 0.996 . . . . 0.0 108.407 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.9 mm -136.52 147.07 27.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -141.34 137.74 32.59 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.457 HG21 ' HE ' ' C' ' 6' ' ' ARG . 2.4 tp -93.65 94.78 4.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.05 -24.89 61.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.834 -169.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.45 179.18 41.16 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.451 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 p -134.47 148.58 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.009 0.524 . . . . 0.0 109.616 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 63.0 m -146.02 67.0 1.2 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.363 1.065 . . . . 0.0 108.466 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.61 -137.16 25.48 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -65.71 -12.5 54.23 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 118.788 -0.625 . . . . 0.0 111.357 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -97.42 148.47 23.16 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 119.124 0.875 . . . . 0.0 109.45 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 26.7 t -135.59 142.68 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -109.37 127.59 54.46 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.27 154.25 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -170.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.45 154.54 20.05 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 1' ' ' MET . 70.0 mt -136.1 144.93 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -178.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -140.32 108.69 5.83 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.05 160.16 31.3 Favored Pre-proline 0 N--CA 1.451 -0.413 0 C-N-CA 123.596 0.758 . . . . 0.0 109.351 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -65.39 156.24 64.42 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.756 2.304 . . . . 0.0 110.834 175.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -68.53 -0.53 5.18 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-O 121.156 0.503 . . . . 0.0 110.149 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -66.41 -12.58 57.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.708 1.203 . . . . 0.0 110.133 172.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -138.59 169.44 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.845 1.258 . . . . 0.0 108.396 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.01 159.26 24.2 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.81 -0.557 . . . . 0.0 110.964 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.4 m -146.34 126.36 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -156.57 164.14 38.55 Favored 'General case' 0 CA--C 1.523 -0.069 0 O-C-N 122.299 -0.251 . . . . 0.0 110.328 175.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -64.96 156.74 30.21 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 171.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.77 -23.45 67.22 Favored 'General case' 0 C--N 1.333 -0.138 0 O-C-N 122.445 -0.159 . . . . 0.0 111.245 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.75 -47.22 63.83 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.824 0.345 . . . . 0.0 110.154 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.8 mm -72.94 -28.91 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.446 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 76.7 t80 -60.92 -36.66 79.87 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 122.881 0.472 . . . . 0.0 110.667 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -72.19 -18.33 61.86 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.075 -0.39 . . . . 0.0 111.688 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.07 -9.39 59.7 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 122.768 0.427 . . . . 0.0 110.315 174.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 89.5 mt -110.25 -45.75 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -174.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.446 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 45.3 mm-40 -68.55 0.71 3.77 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.14 -0.35 . . . . 0.0 111.879 -178.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.78 -16.36 63.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.878 0.471 . . . . 0.0 111.924 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.56 14.5 0.06 OUTLIER Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.054 -0.859 . . . . 0.0 114.34 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -154.49 176.56 12.21 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 119.005 1.402 . . . . 0.0 112.843 -172.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 22.6 p -149.86 4.88 0.57 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.471 1.108 . . . . 0.0 110.712 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.08 76.6 7.12 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 123.563 0.745 . . . . 0.0 109.878 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.37 171.14 0.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 124.807 3.671 . . . . 0.0 114.356 178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 CA--C 1.529 0.148 0 C-N-CA 123.831 0.853 . . . . 0.0 112.857 -178.085 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.439 HO2' " H5'" ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C4'-C3'-C2' 99.579 -3.121 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.481 HO2' " H5'" ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.209 -3.491 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.481 " H5'" HO2' ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.323 -3.377 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.465 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.528 -3.172 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.578 HO2' " H5'" ' D' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 98.989 -3.711 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . 0.578 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 C4'-C3'-C2' 99.352 -3.348 . 0.57 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.486 " H5'" HO2' ' D' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.498 -3.202 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-N19 111.598 3.398 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.45 " H4'" ' OP1' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 C4'-C3'-O3' 116.896 2.421 OUTLIER-EPSILON 0.617 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.45 ' OP1' " H4'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.403 1 P-O3'-C3' 125.769 5.058 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 N19-C1'-C2' 109.354 -2.529 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . 0.428 ' C8 ' HD11 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 C5'-C4'-C3' 109.605 -3.93 . 0.125 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 1 C5'-C4'-C3' 105.776 -6.483 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 1 P-O3'-C3' 125.484 4.82 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . 0.519 HO2' " H5'" ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 98.751 -3.949 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.519 " H5'" HO2' ' D' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.772 1 C4'-C3'-C2' 98.383 -4.317 . 0.587 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . 0.571 HO2' " H5'" ' D' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.107 -3.593 . 0.534 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.571 " H5'" HO2' ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.885 -2.815 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.436 " H5'" HO2' ' D' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C4'-C3'-C2' 99.707 -2.993 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.501 HO2' " H5'" ' D' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 99.425 -3.275 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . 0.501 " H5'" HO2' ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.645 -3.055 . 0.753 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' A' ' 2' ' ' LEU . 14.8 tpp . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.893 -0.04 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.2 tm? -125.54 108.1 11.27 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 169.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -102.38 143.46 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.075 0 C-N-CA 123.583 0.753 . . . . 0.0 110.021 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.13 169.89 20.08 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.044 0.537 . . . . 0.0 110.674 174.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.6 p -105.42 157.93 17.0 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.454 0.645 . . . . 0.0 111.335 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -148.41 163.88 35.8 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 176.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -120.6 157.64 29.08 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.387 0.613 . . . . 0.0 110.009 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.4 m -53.4 127.1 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.247 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.93 8.57 53.94 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 119.532 -0.593 . . . . 0.0 112.843 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -118.58 -176.74 3.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.163 0.982 . . . . 0.0 110.189 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.1 m -140.39 168.11 20.57 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -172.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mm -141.33 162.98 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 126.627 1.971 . . . . 0.0 106.699 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -139.15 154.85 48.15 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.971 0.805 . . . . 0.0 112.284 -177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.7 mt -140.42 145.49 25.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 124.054 0.942 . . . . 0.0 108.654 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.7 -139.26 32.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -132.77 16.57 4.29 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.359 0.663 . . . . 0.0 110.065 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -142.06 8.85 1.88 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.812 0.845 . . . . 0.0 111.689 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.54 146.48 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 119.021 0.828 . . . . 0.0 110.797 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -139.86 155.74 47.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -137.54 146.4 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -136.33 150.17 48.74 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -110.81 91.26 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.23 -26.2 63.74 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.496 -168.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.91 -177.86 39.55 Favored Glycine 0 C--N 1.336 0.583 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.633 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 m -124.95 161.32 28.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.262 0.554 . . . . 0.0 110.534 176.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 m -151.19 63.93 0.9 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.94 -133.32 20.55 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.5 -18.59 65.43 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.118 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -86.87 148.77 25.22 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.0 t -140.23 129.0 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -90.95 129.99 36.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -134.42 155.25 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -170.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 156.69 21.76 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.4 mt -138.13 145.76 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -178.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -142.24 110.54 6.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.69 158.75 33.11 Favored Pre-proline 0 N--CA 1.452 -0.368 0 C-N-CA 123.614 0.765 . . . . 0.0 109.35 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.56 150.49 86.55 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.207 2.605 . . . . 0.0 110.406 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -64.45 -5.0 4.49 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 122.368 -0.207 . . . . 0.0 110.588 175.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -66.15 -7.04 15.54 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.393 0.677 . . . . 0.0 110.742 173.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -137.33 167.46 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.32 159.34 27.63 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.951 -0.468 . . . . 0.0 111.144 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.05 131.76 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -156.03 160.16 39.77 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.7 ptt85 -68.79 156.4 38.41 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 172.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.0 -24.11 56.87 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -169.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.49 -40.64 66.76 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.397 -0.814 . . . . 0.0 110.992 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.64 -31.34 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 73.1 t80 -59.42 -39.83 84.75 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.683 0.393 . . . . 0.0 111.501 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.15 -15.71 63.47 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -85.97 -9.27 57.14 Favored 'General case' 0 C--N 1.34 0.171 0 O-C-N 121.961 -0.462 . . . . 0.0 110.556 175.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.9 mt -110.2 -37.7 3.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 C-N-CA 122.425 0.29 . . . . 0.0 111.262 -173.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 66.8 mm-40 -75.55 0.67 16.56 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.3 -0.25 . . . . 0.0 111.413 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.23 -16.29 64.21 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.867 0.467 . . . . 0.0 112.114 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.04 18.72 0.08 OUTLIER Glycine 0 CA--C 1.527 0.819 0 CA-C-O 119.19 -0.783 . . . . 0.0 113.915 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.5 28.9 0.78 Allowed 'General case' 0 C--N 1.338 0.091 0 CA-C-N 118.657 1.229 . . . . 0.0 113.721 -171.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.4 m -64.36 -6.66 7.51 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.766 -0.584 . . . . 0.0 111.559 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.19 69.69 11.74 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 123.94 0.896 . . . . 0.0 109.037 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -50.4 -40.67 53.28 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 124.408 3.405 . . . . 0.0 113.899 -173.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.9 t70 . . . . . 0 CA--C 1.534 0.34 0 C-N-CA 122.905 0.482 . . . . 0.0 110.832 -175.095 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.438 HO2' " H5'" ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.889 -2.811 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.438 " H5'" HO2' ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.206 -3.494 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . 0.513 HO2' " H5'" ' B' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 C4'-C3'-C2' 99.327 -3.373 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . 0.513 " H5'" HO2' ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 111.476 3.276 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.585 HO2' " H5'" ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 98.942 -3.758 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . 0.585 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 C4'-C3'-C2' 98.998 -3.702 . 0.718 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.575 " H5'" HO2' ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 O4'-C1'-N19 111.459 3.259 . 0.623 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . 0.573 " H5'" HO2' ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.404 0 C4'-C3'-C2' 99.507 -3.193 . 0.731 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.493 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.587 2 C3'-C2'-C1' 105.472 4.413 OUTLIER-DELTA 0.078 1t . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.493 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 C4'-C3'-C2' 100.032 -2.668 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.775 0 N19-C1'-C2' 109.43 -2.481 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . 0.406 ' C6 ' " H1'" ' B' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.385 0 C5'-C4'-C3' 110.833 -3.111 . 0.147 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.995 1 C5'-C4'-C3' 108.743 -4.504 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . 0.406 " H1'" ' C6 ' ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C5'-C4'-C3' 110.289 -3.474 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . 0.455 HO2' " H5'" ' B' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.409 -3.291 . 0.357 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . 0.455 " H5'" HO2' ' B' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 98.856 -3.844 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . 0.5 HO2' " H5'" ' B' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.065 -3.635 . 0.555 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.5 " H5'" HO2' ' B' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C4'-C3'-C2' 99.739 -2.961 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.483 HO2' " H5'" ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C4'-C3'-C2' 99.517 -3.183 . 0.858 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.501 HO2' " H5'" ' B' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.578 -3.122 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . 0.501 " H5'" HO2' ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 C4'-C3'-C2' 99.928 -2.772 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.427 ' HG2' ' CD1' ' C' ' 3' ' ' ILE . 6.8 tpp . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 110.767 -0.086 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -124.96 108.05 11.47 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 172.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.427 ' CD1' ' HG2' ' C' ' 1' ' ' MET . 4.4 mp -96.54 151.25 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.728 1.211 . . . . 0.0 110.083 -172.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.488 ' HA ' ' C2 ' ' D' ' 63' ' ' ' A' . 38.4 mt -147.36 173.05 12.97 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.595 1.158 . . . . 0.0 111.268 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p -129.46 120.19 25.03 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 167.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -125.81 132.2 52.3 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -81.24 156.85 25.4 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.522 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.413 HG12 HG12 ' C' ' 25' ' ' VAL . 17.2 m -55.24 129.82 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.701 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.96 2.5 58.25 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.31 -0.717 . . . . 0.0 112.918 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -110.55 179.7 4.0 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.517 1.158 . . . . 0.0 110.752 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.8 m -137.81 171.49 14.35 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -170.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -152.9 166.28 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 127.015 2.126 . . . . 0.0 107.4 -170.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -142.39 154.73 44.87 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -140.33 145.72 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 114.662 -1.153 . . . . 0.0 108.611 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.97 -138.57 42.16 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -133.91 15.77 3.91 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.032 0.533 . . . . 0.0 110.048 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -142.23 9.74 1.88 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.553 0.741 . . . . 0.0 111.595 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.0 146.82 32.98 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.952 0.796 . . . . 0.0 110.889 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 40.7 m -136.04 153.44 51.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -137.4 147.42 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.9 m -140.7 148.1 40.26 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -107.43 85.57 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.5 mt -63.47 -25.23 68.17 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -167.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.27 -174.84 44.34 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.218 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . 0.413 HG12 HG12 ' C' ' 8' ' ' VAL . 7.9 p -141.59 142.81 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.166 0.986 . . . . 0.0 109.292 -175.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.6 m -148.44 70.51 1.13 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.935 0.894 . . . . 0.0 108.616 -175.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.77 -138.76 28.98 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 108.801 -1.72 . . . . 0.0 108.801 -175.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.49 -16.49 64.16 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 118.808 -0.615 . . . . 0.0 110.973 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.64 149.36 25.38 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 52.9 t -141.5 142.51 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -111.39 128.88 56.11 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.6 154.94 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.81 -169.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.35 154.94 21.45 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.0 mt -136.45 144.7 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -138.89 106.72 5.65 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.11 160.93 30.73 Favored Pre-proline 0 N--CA 1.452 -0.357 0 C-N-CA 123.702 0.801 . . . . 0.0 109.426 -177.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -65.35 155.55 68.06 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.952 2.435 . . . . 0.0 110.601 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -68.05 -0.53 4.57 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 122.116 -0.365 . . . . 0.0 110.244 172.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.26 -11.71 51.98 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.434 1.094 . . . . 0.0 110.199 173.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -138.53 169.34 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.681 1.192 . . . . 0.0 108.258 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.51 158.83 26.43 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.172 -0.33 . . . . 0.0 111.065 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.1 m -146.13 130.22 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.074 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -157.98 171.0 21.04 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 122.112 -0.368 . . . . 0.0 110.531 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -68.1 156.92 36.41 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 170.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -59.69 -25.31 64.66 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.046 0.451 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.72 -48.21 55.73 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.353 0.661 . . . . 0.0 111.06 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -74.63 -27.14 20.51 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.13 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -176.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.447 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 85.2 t80 -59.96 -35.64 75.41 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.578 0.751 . . . . 0.0 111.752 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.87 -18.06 63.39 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.033 -0.417 . . . . 0.0 112.052 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -84.96 -8.23 58.83 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 122.732 0.413 . . . . 0.0 110.167 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 86.3 mt -110.65 -44.44 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 122.44 0.296 . . . . 0.0 110.6 -172.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.447 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 61.8 mm-40 -67.97 0.03 3.91 Favored 'General case' 0 C--O 1.233 0.185 0 O-C-N 122.208 -0.307 . . . . 0.0 111.373 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.81 -16.66 64.01 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.273 0.629 . . . . 0.0 111.555 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.15 17.96 0.09 OUTLIER Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.122 -0.821 . . . . 0.0 113.962 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -155.58 -178.47 7.3 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.021 1.41 . . . . 0.0 112.709 -173.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 21.0 p -144.64 7.15 1.26 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.518 1.127 . . . . 0.0 110.142 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.09 85.14 4.72 Favored Pre-proline 0 N--CA 1.449 -0.496 0 C-N-CA 124.291 1.036 . . . . 0.0 108.393 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -43.41 137.8 5.33 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 124.363 3.376 . . . . 0.0 113.627 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 CA--C 1.532 0.287 0 C-N-CA 125.285 1.434 . . . . 0.0 114.163 178.05 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.463 HO2' " H5'" ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.998 -2.702 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.463 " H5'" HO2' ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 99.529 -3.171 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.471 HO2' " H5'" ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.397 0 C4'-C3'-C2' 99.116 -3.584 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.49 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 C4'-C3'-C2' 99.128 -3.572 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.49 " H5'" HO2' ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C4'-C3'-C2' 99.196 -3.504 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . 0.457 HO2' " H5'" ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 C4'-C3'-C2' 99.3 -3.4 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.493 HO2' " H5'" ' D' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 O4'-C1'-N19 110.82 2.62 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . 0.493 " H5'" HO2' ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.827 -2.873 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.488 ' C2 ' ' HA ' ' C' ' 4' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 O4'-C1'-N19 111.849 3.649 . 0.456 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 1 C5'-C4'-C3' 109.495 -4.003 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 O4'-C1'-N19 112.065 3.865 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . 0.423 ' C8 ' HD11 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.314 0 C5'-C4'-C3' 109.857 -3.762 . 0.597 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 1 C5'-C4'-C3' 105.392 -6.739 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . 0.458 HO2' " H5'" ' D' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.723 1 P-O3'-C3' 125.863 5.136 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . 0.458 " H5'" HO2' ' D' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.475 -3.225 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.593 HO2' " H5'" ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.423 0 C4'-C3'-C2' 98.716 -3.984 . 0.729 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . 0.593 " H5'" HO2' ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.037 -3.663 . 0.6 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.401 HO2' " H5'" ' D' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.663 -3.037 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.44 HO2' " H5'" ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.501 -3.199 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.44 " H5'" HO2' ' D' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.449 -3.251 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 110.721 2.521 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.434 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 8.0 tpp . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 120.499 0.19 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.0 tm? -128.28 109.97 11.96 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 171.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.424 ' CD1' ' HG2' ' A' ' 1' ' ' MET . 4.9 mp -104.16 144.25 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.242 1.017 . . . . 0.0 110.094 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -162.1 -178.73 6.58 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.142 0.577 . . . . 0.0 110.216 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -119.28 155.39 31.88 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.946 0.879 . . . . 0.0 111.053 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -148.82 163.85 36.17 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -134.75 166.57 22.65 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 119.582 1.083 . . . . 0.0 110.984 169.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -47.16 133.5 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 123.731 0.644 . . . . 0.0 112.462 -171.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.6 0.24 72.95 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.285 -0.73 . . . . 0.0 113.519 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -103.16 -178.61 3.71 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.493 1.147 . . . . 0.0 110.242 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -140.16 168.05 20.7 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -174.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.2 mt -143.83 162.82 15.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 125.923 1.689 . . . . 0.0 107.432 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -137.59 155.9 48.68 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.462 0.649 . . . . 0.0 111.443 -176.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.1 mt -142.88 140.8 27.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.395 1.078 . . . . 0.0 108.921 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.26 -135.51 44.18 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -177.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -136.5 16.28 3.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.183 0.593 . . . . 0.0 110.267 176.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -139.61 6.85 2.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.272 0.629 . . . . 0.0 111.573 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -129.62 146.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 CA-C-N 118.822 0.737 . . . . 0.0 110.368 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.8 m -138.81 154.86 48.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.0 mm -137.65 149.7 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -141.82 151.97 43.27 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -111.09 86.09 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.08 -25.9 68.0 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.381 -169.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.12 179.22 41.55 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.585 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.3 p -135.01 146.31 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -145.65 71.65 1.28 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.489 1.116 . . . . 0.0 108.168 -176.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.32 -136.7 23.95 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -175.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -67.67 -14.27 62.8 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.797 -0.621 . . . . 0.0 111.086 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.401 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 2.9 tp-100 -85.37 148.73 25.87 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.862 0.755 . . . . 0.0 109.533 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.4 t -142.09 126.09 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.0 ttm-85 -95.22 131.35 41.37 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -130.28 149.96 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.76 -169.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.36 148.93 18.87 Favored Glycine 0 C--N 1.332 0.345 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -137.62 143.82 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -144.55 104.87 4.1 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.58 159.18 36.84 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.311 0.644 . . . . 0.0 109.849 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.01 152.8 79.63 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.776 2.317 . . . . 0.0 110.592 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -69.4 -1.89 9.56 Favored 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.066 -0.396 . . . . 0.0 110.772 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -69.42 -7.59 39.09 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.812 0.845 . . . . 0.0 110.763 172.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.33 169.03 20.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.03 155.38 23.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.119 -0.363 . . . . 0.0 111.052 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.401 HG23 ' C6 ' ' D' ' 65' ' ' ' G' . 11.5 m -145.94 124.39 4.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.041 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -157.8 170.27 22.74 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 122.14 -0.35 . . . . 0.0 110.124 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.4 ptt85 -83.08 159.18 22.18 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -54.53 -32.79 58.87 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -169.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.79 -28.06 63.36 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.974 -0.454 . . . . 0.0 112.048 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -87.55 -27.68 5.67 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 52' ' ' GLN . 77.3 t80 -60.18 -32.72 71.34 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.028 0.531 . . . . 0.0 111.874 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -72.67 -14.68 61.64 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 121.738 -0.601 . . . . 0.0 112.294 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -86.06 -10.03 55.68 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.815 0.446 . . . . 0.0 110.973 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -110.35 -58.68 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 C-N-CA 122.593 0.357 . . . . 0.0 110.63 -173.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.451 ' HG2' ' CZ ' ' A' ' 48' ' ' TYR . 13.0 mp0 -67.64 0.52 3.11 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.113 0.565 . . . . 0.0 112.418 -177.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.31 -16.44 54.13 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.104 0.562 . . . . 0.0 111.784 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.08 9.46 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 CA-C-O 119.582 -0.566 . . . . 0.0 113.841 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -152.98 -169.28 3.29 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.268 1.034 . . . . 0.0 110.998 -174.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.6 m -134.4 -3.68 2.68 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.477 0.311 . . . . 0.0 110.933 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.52 120.4 3.74 Favored Pre-proline 0 C--O 1.234 0.246 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -49.25 -32.03 24.06 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.026 3.151 . . . . 0.0 114.291 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -175.669 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.416 HO2' " H5'" ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.975 -2.725 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.484 HO2' " H5'" ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C4'-C3'-C2' 99.086 -3.614 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . 0.484 " H5'" HO2' ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.489 -3.211 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . 0.477 " H5'" HO2' ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 O4'-C1'-N19 111.441 3.241 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.407 " H5'" HO2' ' B' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 98.737 -3.963 . 0.732 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . 0.622 HO2' " H5'" ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.463 -3.237 . 0.573 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.622 " H5'" HO2' ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 O4'-C1'-N19 111.028 2.828 . 0.628 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . 0.577 " H5'" HO2' ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 100.436 -2.264 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.557 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.807 1 C5'-C4'-C3' 109.342 -4.105 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.557 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-C3' 111.571 -2.62 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 O4'-C1'-N19 110.629 2.429 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C5'-C4'-C3' 111.61 -2.594 . 0.169 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 1 C5'-C4'-C3' 105.27 -6.82 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . 0.429 HO2' " H5'" ' B' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.945 1 P-O3'-C3' 125.656 4.964 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . 0.429 " H5'" HO2' ' B' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 99.193 -3.507 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 98.834 -3.866 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.436 0 C4'-C3'-C2' 99.239 -3.461 . 0.528 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.438 HO2' " H5'" ' B' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 100.023 -2.677 . 0.734 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.477 HO2' " H5'" ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.315 3.115 . 0.849 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.477 " H5'" HO2' ' B' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.325 -3.375 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 99.816 -2.884 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 35.3 mmm . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 120.929 0.395 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -135.74 114.63 12.1 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 167.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.32 142.11 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.212 -172.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.1 174.84 12.41 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.065 0.546 . . . . 0.0 110.882 176.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.8 p -116.25 156.88 25.8 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.764 0.793 . . . . 0.0 111.071 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.418 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.5 OUTLIER -146.03 164.89 30.66 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.399 1.48 . . . . 0.0 107.741 175.009 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.401 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 42.6 mtmt -116.18 165.15 13.48 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.561 172.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.9 m -58.12 131.91 22.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.465 -175.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.55 -13.52 61.14 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.637 0.637 . . . . 0.0 111.921 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -86.2 179.56 6.9 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.051 0.925 . . . . 0.0 110.921 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.6 m -140.18 168.33 20.06 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.519 0.676 . . . . 0.0 112.553 -175.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mm -140.09 161.47 25.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 126.492 1.917 . . . . 0.0 106.943 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -138.3 154.1 49.01 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 121.747 -0.596 . . . . 0.0 111.607 -177.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -142.27 143.8 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.57 -138.83 36.43 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -133.4 16.42 4.05 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.292 0.637 . . . . 0.0 110.263 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -141.76 8.45 1.92 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.696 0.798 . . . . 0.0 111.833 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.57 145.1 36.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 CA-C-N 119.044 0.838 . . . . 0.0 110.873 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 76.2 m -140.84 155.54 46.32 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.31 1.044 . . . . 0.0 108.588 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 mm -137.35 147.45 26.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -140.43 128.95 22.76 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.985 0.357 . . . . 0.0 110.285 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -82.82 96.9 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.97 -26.73 62.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -171.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.78 -176.6 40.57 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.49 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -128.48 161.49 37.08 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.332 0.587 . . . . 0.0 110.66 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.0 m -151.32 72.14 1.03 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.81 -136.63 23.21 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 -174.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.53 -20.36 66.31 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.2 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -76.65 150.08 36.42 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.88 119.23 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -89.58 131.87 35.38 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -135.22 152.26 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -172.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.67 157.0 18.88 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 1' ' ' MET . 66.0 mt -138.9 144.93 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -176.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -141.62 108.04 5.29 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.4 159.17 33.06 Favored Pre-proline 0 N--CA 1.451 -0.401 0 C-N-CA 123.883 0.873 . . . . 0.0 108.824 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.51 151.69 84.11 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 122.623 2.215 . . . . 0.0 110.339 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -68.3 -2.05 7.52 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.226 -0.296 . . . . 0.0 110.376 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.27 -7.17 34.51 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.114 0.966 . . . . 0.0 110.663 172.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.89 168.46 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.946 0.898 . . . . 0.0 108.595 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.63 156.32 26.06 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 122.327 -0.233 . . . . 0.0 111.317 -174.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.3 m -144.79 125.99 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.068 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -159.2 164.17 35.33 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.88 0.372 . . . . 0.0 110.854 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -66.14 159.65 25.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -57.35 -32.52 66.84 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.406 0.283 . . . . 0.0 111.433 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -69.64 -45.69 67.88 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 120.368 0.128 . . . . 0.0 111.238 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.2 -30.87 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -57.78 -25.29 60.31 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.715 0.806 . . . . 0.0 111.94 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -71.06 -14.46 62.33 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.177 -0.327 . . . . 0.0 111.483 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -82.19 -6.63 59.35 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.659 -0.651 . . . . 0.0 109.997 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -110.45 -12.94 11.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.759 0.824 . . . . 0.0 109.276 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -119.55 -14.78 9.08 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.571 0.749 . . . . 0.0 112.955 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -141.78 0.08 1.39 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.37 42.36 0.43 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . 0.625 ' H ' HD21 ' C' ' 55' ' ' LEU . 0.9 OUTLIER -32.05 133.51 0.1 Allowed 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 126.102 1.761 . . . . 0.0 112.931 -172.795 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.3 p -76.71 166.33 23.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.628 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 35.12 58.13 2.45 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 124.805 1.242 . . . . 0.0 113.364 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -47.56 -37.4 26.48 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 124.049 3.166 . . . . 0.0 114.019 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 39.2 t70 . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 122.812 0.445 . . . . 0.0 111.459 -175.486 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.43 HO2' " H5'" ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C5'-C4'-C3' 111.258 -2.828 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.473 HO2' " H5'" ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.06 -3.64 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.473 " H5'" HO2' ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.395 -3.305 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.476 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 O4'-C1'-N19 111.763 3.563 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.476 " H5'" HO2' ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 98.966 -3.734 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . 0.551 HO2' " H5'" ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 C4'-C3'-C2' 99.124 -3.576 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.59 HO2' " H5'" ' D' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 O4'-C1'-N19 111.363 3.163 . 0.541 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . 0.59 " H5'" HO2' ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 O4'-C1'-N19 111.558 3.358 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.68 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 O4'-C1'-N19 111.51 3.31 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.68 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C5'-C4'-C3' 111.186 -2.876 . 0.039 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . 0.401 ' C6 ' HG23 ' A' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 N19-C1'-C2' 109.692 -2.318 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 C5'-C4'-C3' 112.303 -2.132 . 0.138 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.857 1 C5'-C4'-C3' 104.655 -7.23 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 1 P-O3'-C3' 125.733 5.028 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . 0.585 HO2' " H5'" ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.112 -3.588 . 0.81 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.585 " H5'" HO2' ' D' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C4'-C3'-C2' 98.653 -4.047 . 0.648 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 C4'-C3'-C2' 99.335 -3.365 . 0.546 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.891 -2.809 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.471 HO2' " H5'" ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 99.629 -3.071 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.471 " H5'" HO2' ' D' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.322 -3.378 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 C4'-C3'-C2' 99.81 -2.89 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.54 ' HE2' ' C6 ' ' B' ' 67' ' ' ' C' . 18.5 ttp . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.45 128.16 52.91 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.463 HD12 " H5'" ' B' ' 67' ' ' ' C' . 4.5 mp -130.67 141.69 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 C-N-CA 123.43 0.692 . . . . 0.0 109.71 -171.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.24 169.69 21.71 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.504 176.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 p -108.56 153.03 23.94 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.252 0.549 . . . . 0.0 110.254 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -144.35 164.83 29.66 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.142 1.377 . . . . 0.0 107.891 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' C' ' 29' ' ' GLN . 40.3 mtmt -119.69 160.66 22.1 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 120.728 0.299 . . . . 0.0 110.774 176.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.2 m -55.45 121.66 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.537 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.67 -17.97 27.5 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.771 0.7 . . . . 0.0 112.492 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.59 175.86 10.15 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 118.438 1.119 . . . . 0.0 111.22 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -138.85 168.74 19.16 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 121.55 0.69 . . . . 0.0 111.666 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.418 HG21 ' H ' ' A' ' 13' ' ' ASN . 14.0 mt -143.51 169.67 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 C-N-CA 125.309 1.444 . . . . 0.0 107.238 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.418 ' H ' HG21 ' A' ' 12' ' ' ILE . 12.5 t-20 -140.81 150.91 43.92 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 118.179 0.445 . . . . 0.0 110.801 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -146.0 142.73 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 123.395 0.678 . . . . 0.0 110.45 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.15 12.98 8.5 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-O 119.229 -0.762 . . . . 0.0 114.83 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.3 t70 58.33 10.67 1.37 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -139.72 5.21 2.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.323 0.649 . . . . 0.0 110.711 176.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.03 146.17 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 m -136.62 151.06 48.91 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -133.07 149.33 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -144.23 124.28 13.61 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -77.46 95.29 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.82 -28.0 65.34 Favored 'General case' 0 C--O 1.23 0.073 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -172.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.23 -176.9 40.82 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.512 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -128.73 161.89 36.82 Favored 'Isoleucine or valine' 0 C--O 1.23 0.073 0 CA-C-O 121.396 0.617 . . . . 0.0 110.306 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.0 m -151.3 74.66 1.15 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.17 -140.17 29.36 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 108.191 -1.964 . . . . 0.0 108.191 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -67.48 -12.28 59.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 117.615 0.707 . . . . 0.0 111.762 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.95 149.36 30.86 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -141.46 120.48 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -90.84 133.75 34.98 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.16 151.72 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -172.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.93 148.09 18.36 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -137.85 144.54 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -143.14 103.99 4.22 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -176.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.36 158.76 43.46 Favored Pre-proline 0 C--O 1.233 0.235 0 C-N-CA 123.989 0.916 . . . . 0.0 109.895 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.77 151.78 81.83 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.97 2.446 . . . . 0.0 110.308 174.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -69.48 -1.48 8.69 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.789 -0.57 . . . . 0.0 110.575 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.49 -10.74 57.52 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.895 0.878 . . . . 0.0 110.504 171.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.6 m -133.42 168.86 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.87 160.66 29.31 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.157 -0.339 . . . . 0.0 111.59 -173.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 m -144.93 129.65 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -157.68 165.35 35.69 Favored 'General case' 0 C--N 1.339 0.121 0 O-C-N 121.813 -0.555 . . . . 0.0 110.289 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -59.94 152.85 22.6 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 171.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -60.91 -31.46 70.97 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 122.031 -0.418 . . . . 0.0 110.796 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -78.75 -20.58 49.58 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.4 mm -90.49 -26.37 5.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.137 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -62.34 -38.02 87.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.953 0.901 . . . . 0.0 111.225 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.3 -17.63 64.32 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -79.0 -12.83 60.05 Favored 'General case' 0 N--CA 1.461 0.077 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.484 ' HA ' HD13 ' A' ' 55' ' ' LEU . 95.4 mt -110.39 -34.7 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 123.22 0.608 . . . . 0.0 111.526 -173.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -71.72 1.52 6.71 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.434 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.34 -12.47 61.13 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.074 0.949 . . . . 0.0 111.399 174.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.17 -0.53 1.56 Allowed Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.593 -0.559 . . . . 0.0 113.335 174.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 51' ' ' ILE . 24.6 mt -78.31 -7.9 57.78 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-N 118.361 1.081 . . . . 0.0 113.399 -173.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -68.14 -16.04 63.83 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -173.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.56 74.07 3.24 Favored Pre-proline 0 N--CA 1.454 -0.25 0 C-N-CA 123.132 0.573 . . . . 0.0 110.46 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -49.28 -39.01 43.17 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 124.05 3.166 . . . . 0.0 112.935 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 CA--C 1.531 0.231 0 C-N-CA 122.881 0.472 . . . . 0.0 110.23 -178.206 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.744 -2.956 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.475 HO2' " H5'" ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.071 -3.629 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . 0.475 " H5'" HO2' ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.377 -3.323 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 99.484 -3.216 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.632 HO2' " H5'" ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C4'-C3'-C2' 99.01 -3.69 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . 0.632 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 98.998 -3.702 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.588 HO2' " H5'" ' B' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 O4'-C1'-N19 111.648 3.448 . 0.57 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . 0.588 " H5'" HO2' ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 O4'-C1'-N19 111.112 2.912 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.658 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 O4'-C1'-N19 111.177 2.977 . 0.47 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.658 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 99.233 -3.467 . 0.024 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.748 0 O4'-C1'-N19 110.764 2.564 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . 0.583 " C2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 C3'-C2'-C1' 104.778 3.643 . 0.568 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . 0.583 H5'' " C2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.38 2 O5'-C5'-C4' 118.856 6.183 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . 0.495 " C5'" " H4'" ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.927 1 P-O3'-C3' 124.894 4.329 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.159 -3.541 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 1 C4'-C3'-C2' 98.601 -4.099 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . 0.571 HO2' " H5'" ' B' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.246 -3.454 . 0.55 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.571 " H5'" HO2' ' B' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.631 -3.069 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.44 HO2' " H5'" ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.637 -3.063 . 0.866 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.522 HO2' " H5'" ' B' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C4'-C3'-C2' 99.142 -3.558 . 0.806 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . 0.522 " H5'" HO2' ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.896 -2.804 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mmm . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.29 112.69 10.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 168.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -101.7 150.92 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.532 HD11 ' H ' ' C' ' 5' ' ' THR . 0.2 OUTLIER -155.74 162.54 40.51 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.933 0.493 . . . . 0.0 109.679 -172.182 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.532 ' H ' HD11 ' C' ' 4' ' ' LEU . 2.0 p -126.86 146.06 50.42 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 123.095 0.558 . . . . 0.0 110.135 171.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.425 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -143.66 169.02 18.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 174.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -118.84 161.79 19.57 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -55.22 129.12 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.939 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.04 -12.97 59.01 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 123.651 0.643 . . . . 0.0 112.649 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -88.04 175.34 7.8 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 118.218 1.009 . . . . 0.0 111.079 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -140.86 168.11 20.58 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -173.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.0 mt -142.3 165.53 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 126.43 1.892 . . . . 0.0 106.877 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -134.58 154.06 51.66 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 118.398 0.545 . . . . 0.0 110.376 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -139.94 143.98 29.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 123.888 0.875 . . . . 0.0 109.082 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.49 -131.31 51.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -136.98 10.6 3.07 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -145.13 10.32 1.3 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.338 0.655 . . . . 0.0 112.006 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.73 146.28 34.39 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 CA-C-N 118.963 0.802 . . . . 0.0 110.212 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -137.89 155.97 48.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -136.29 146.22 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.1 m -144.84 130.64 19.13 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.931 0.396 . . . . 0.0 110.169 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -82.98 95.16 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.01 -25.74 63.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -172.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.34 -179.95 40.06 Favored Glycine 0 CA--C 1.525 0.705 0 O-C-N 122.143 -0.348 . . . . 0.0 112.322 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 17.1 m -131.57 163.93 35.88 Favored 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.382 0.611 . . . . 0.0 110.647 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -151.23 67.81 0.92 Allowed 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.1 -133.8 15.71 Favored Glycine 0 C--N 1.336 0.551 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -65.66 -15.49 62.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 119.028 -0.511 . . . . 0.0 110.77 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.425 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 2.8 tp-100 -86.19 146.89 26.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 118.626 0.648 . . . . 0.0 109.314 177.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -141.88 125.05 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 ttm-85 -95.05 129.08 42.28 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.67 154.66 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -171.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.35 149.52 17.49 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -135.19 137.75 49.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -137.19 104.86 5.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -172.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.73 161.98 29.76 Favored Pre-proline 0 C--O 1.234 0.264 0 C-N-CA 123.973 0.909 . . . . 0.0 109.867 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.09 153.83 76.4 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.912 2.408 . . . . 0.0 110.424 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -71.12 -1.02 10.97 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.857 -0.527 . . . . 0.0 110.297 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.29 -6.27 28.36 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.996 0.918 . . . . 0.0 110.498 171.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -136.43 168.14 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 124.005 0.922 . . . . 0.0 108.527 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.99 159.14 28.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 122.221 -0.299 . . . . 0.0 111.276 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -145.24 131.23 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -159.97 167.49 27.85 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.206 0.457 . . . . 0.0 111.644 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -60.44 152.18 26.27 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 169.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.32 -24.98 65.44 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.213 -0.305 . . . . 0.0 111.491 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -75.14 -48.42 23.79 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.939 -0.476 . . . . 0.0 110.727 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.93 -25.97 38.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -58.45 -52.64 64.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 122.823 0.449 . . . . 0.0 109.892 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.51 -16.33 35.95 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -172.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -79.95 -1.98 41.86 Favored 'General case' 0 C--N 1.337 0.05 0 CA-C-N 118.146 0.43 . . . . 0.0 110.985 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 70.5 mt -113.0 -78.74 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -173.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.713 ' NE2' ' H ' ' C' ' 52' ' ' GLN . 0.0 OUTLIER -64.87 4.23 0.45 Allowed 'General case' 0 C--O 1.232 0.134 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 -173.12 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.48 -9.66 36.64 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 122.088 -0.382 . . . . 0.0 111.206 171.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.07 0.21 0.03 OUTLIER Glycine 0 C--N 1.341 0.838 0 CA-C-O 119.514 -0.603 . . . . 0.0 113.824 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pp -156.33 173.01 17.5 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.563 1.181 . . . . 0.0 111.047 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 25.1 m -151.84 -21.98 0.19 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.276 0.23 . . . . 0.0 111.181 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.56 71.66 6.07 Favored Pre-proline 0 CA--C 1.531 0.225 0 O-C-N 122.18 -0.325 . . . . 0.0 111.092 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -53.67 -170.64 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 125.241 3.961 . . . . 0.0 115.612 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 N--CA 1.45 -0.46 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.088 -172.498 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.452 HO2' " H5'" ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.784 -2.916 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.491 HO2' " H5'" ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.238 -3.462 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.491 " H5'" HO2' ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.432 -3.268 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.485 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 C4'-C3'-C2' 99.242 -3.458 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.485 " H5'" HO2' ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.37 -3.33 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . 0.571 HO2' " H5'" ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 C4'-C3'-C2' 99.21 -3.49 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.59 HO2' " H5'" ' D' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 O4'-C1'-N19 111.544 3.344 . 0.574 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . 0.59 " H5'" HO2' ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.859 0 C4'-C3'-C2' 99.987 -2.713 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.489 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.943 1 C3'-C2'-C1' 105.133 4.037 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.489 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.946 0 C4'-C3'-C2' 100.019 -2.681 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 N19-C1'-C2' 109.628 -2.357 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 C5'-C4'-C3' 111.322 -2.785 . 0.308 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 1 C5'-C4'-C3' 106.983 -5.678 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C5'-C4'-C3' 110.386 -3.409 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . 0.466 HO2' " H5'" ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.347 -3.353 . 0.368 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.615 HO2' " H5'" ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 98.98 -3.72 . 0.779 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . 0.615 " H5'" HO2' ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.29 -3.41 . 0.553 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.684 -3.016 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.614 -3.086 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.497 HO2' " H5'" ' D' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.335 -3.365 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . 0.497 " H5'" HO2' ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 O4'-C1'-N19 111.059 2.859 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HE2' ' HA3' ' C' ' 33' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 119.8 -0.143 . . . . 0.0 111.049 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -129.37 113.12 14.56 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.404 HD12 " H5'" ' B' ' 67' ' ' ' C' . 4.8 mp -111.5 137.48 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.813 0.845 . . . . 0.0 109.227 -172.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -160.69 175.67 12.38 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.56 0.344 . . . . 0.0 111.019 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 p -117.65 152.41 35.24 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.308 0.575 . . . . 0.0 111.821 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.88 167.82 21.41 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 126.497 1.919 . . . . 0.0 107.055 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -119.81 161.89 20.02 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.2 m -57.82 133.08 22.7 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.568 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.35 5.66 59.08 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 119.436 -0.647 . . . . 0.0 112.265 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -111.34 176.52 4.99 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.363 1.081 . . . . 0.0 110.895 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.5 m -136.96 169.05 18.42 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.15 167.73 11.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 125.785 1.634 . . . . 0.0 107.559 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -141.82 154.15 45.0 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.184 0.516 . . . . 0.0 111.065 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -140.0 139.04 37.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.66 -131.19 46.8 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.306 -1.517 . . . . 0.0 109.306 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -140.64 19.06 2.35 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.391 0.676 . . . . 0.0 109.203 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -141.17 6.27 1.94 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.125 0.57 . . . . 0.0 111.771 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.63 145.81 34.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.173 0 CA-C-N 118.528 0.604 . . . . 0.0 110.512 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.7 m -139.92 152.32 46.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 mm -136.6 149.37 26.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.7 m -144.25 128.02 17.26 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -80.13 95.08 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.77 -27.95 65.35 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.77 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.02 -176.43 39.28 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.148 -0.549 . . . . 0.0 112.803 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.2 m -133.19 162.4 39.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 121.099 0.476 . . . . 0.0 111.254 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -150.52 75.79 1.23 Allowed 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.4 -107.85 3.14 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.415 HE21 ' CG2' ' C' ' 8' ' ' VAL . 14.5 mm100 -95.96 -12.22 25.38 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 172.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -71.57 153.71 41.96 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.324 0.583 . . . . 0.0 109.74 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 t -146.49 104.64 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm-85 -78.96 133.89 36.85 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -132.16 148.05 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.35 149.41 18.59 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -138.63 144.82 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -144.4 104.01 4.03 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -176.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.3 157.76 33.76 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.153 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.61 151.45 82.76 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.612 2.875 . . . . 0.0 111.028 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -64.74 -6.13 7.32 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.834 -0.541 . . . . 0.0 111.019 175.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.83 -7.18 19.72 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.542 0.737 . . . . 0.0 110.523 174.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.16 166.64 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.99 154.45 38.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.898 -0.501 . . . . 0.0 110.957 -174.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.79 124.84 7.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 O-C-N 123.318 0.386 . . . . 0.0 110.047 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -157.32 159.78 37.85 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.888 -0.508 . . . . 0.0 110.729 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -64.47 151.08 45.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -57.27 -30.04 64.35 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -70.44 -41.1 73.3 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 121.914 -0.491 . . . . 0.0 111.038 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -73.22 -26.88 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.454 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 86.5 t80 -62.73 -34.81 77.95 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.493 0.717 . . . . 0.0 110.806 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -70.22 -18.24 63.16 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 122.01 -0.431 . . . . 0.0 111.883 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -83.76 -8.24 59.29 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.883 0.473 . . . . 0.0 109.966 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.7 mt -110.64 -43.6 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 122.398 0.279 . . . . 0.0 110.583 -174.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 62.3 mm-40 -68.42 0.5 3.89 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.35 -15.97 63.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.723 0.409 . . . . 0.0 111.911 176.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.27 14.72 0.06 OUTLIER Glycine 0 C--N 1.342 0.862 0 CA-C-O 119.102 -0.832 . . . . 0.0 114.537 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -154.3 -178.19 6.96 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.175 1.487 . . . . 0.0 112.306 -172.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.2 p -145.9 12.31 1.26 Allowed 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 124.079 0.952 . . . . 0.0 110.871 175.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.67 127.12 5.2 Favored Pre-proline 0 N--CA 1.45 -0.442 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.93 -38.91 24.32 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 124.276 3.317 . . . . 0.0 113.093 176.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 122.866 0.466 . . . . 0.0 110.941 -177.659 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.42 HO2' " H5'" ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.877 -2.823 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.468 HO2' " H5'" ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.303 -3.397 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . 0.491 HO2' " H5'" ' B' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.453 -3.247 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . 0.491 " H5'" HO2' ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 111.378 3.178 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.441 " H5'" HO2' ' B' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.242 -3.458 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . 0.522 HO2' " H5'" ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.398 -3.302 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.557 HO2' " H5'" ' B' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 O4'-C1'-N19 111.599 3.399 . 0.602 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . 0.557 " H5'" HO2' ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 O4'-C1'-N19 111.591 3.391 . 0.527 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.609 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 O4'-C1'-N19 111.323 3.123 . 0.527 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.609 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O4'-C1'-N19 111.46 3.26 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.93 0 O4'-C1'-N19 111.13 2.93 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . 0.558 " C2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.315 0 C3'-C2'-C1' 104.724 3.582 . 0.518 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . 0.558 H5'' " C2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 O5'-C5'-C4' 118.913 6.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . 0.495 " H1'" ' C6 ' ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 C5'-C4'-C3' 108.979 -4.347 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . 0.518 HO2' " H5'" ' B' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 C4'-C3'-C2' 99.358 -3.342 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . 0.518 " H5'" HO2' ' B' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.537 1 C4'-C3'-C2' 98.569 -4.131 . 0.738 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.25 -3.45 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.433 HO2' " H5'" ' B' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.981 -2.719 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.467 HO2' " H5'" ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 O4'-C1'-N19 111.433 3.233 . 0.852 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.501 HO2' " H5'" ' B' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C4'-C3'-C2' 99.562 -3.138 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . 0.501 " H5'" HO2' ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-C2' 99.897 -2.803 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mmm . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 120.737 0.303 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -135.55 113.13 10.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 169.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.38 143.03 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 123.247 0.619 . . . . 0.0 109.453 -174.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -160.72 172.33 17.26 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.131 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -108.76 154.62 21.79 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.895 0.855 . . . . 0.0 110.432 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.509 HH21 HG22 ' C' ' 22' ' ' ILE . 3.7 mtp180 -149.38 -178.76 6.59 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 114.332 -1.304 . . . . 0.0 108.457 171.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -145.65 168.28 21.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.708 175.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.415 ' CG2' HE21 ' A' ' 28' ' ' GLN . 15.6 m -53.59 127.82 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-O 121.009 0.433 . . . . 0.0 111.694 -172.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.72 -16.3 51.58 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 123.716 0.675 . . . . 0.0 113.271 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -82.47 178.05 8.42 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.156 0.978 . . . . 0.0 111.728 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 61.5 m -144.69 165.02 29.24 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.326 0.584 . . . . 0.0 112.266 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.421 ' CD1' HH11 ' C' ' 6' ' ' ARG . 37.2 mt -137.87 163.04 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 125.785 1.634 . . . . 0.0 108.223 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -131.95 147.16 52.45 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -143.81 141.37 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 122.934 0.494 . . . . 0.0 110.463 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.18 13.76 7.45 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 123.787 0.708 . . . . 0.0 114.348 172.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 t70 56.11 12.9 1.04 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.305 1.042 . . . . 0.0 113.756 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -139.63 5.86 2.23 Favored 'General case' 0 C--N 1.34 0.19 0 O-C-N 121.698 -0.626 . . . . 0.0 110.43 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.4 148.77 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -137.75 152.33 49.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.2 mm -132.14 148.87 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -142.01 151.35 42.39 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.509 HG22 HH21 ' C' ' 6' ' ' ARG . 3.1 tp -111.7 87.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.26 -24.66 67.38 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.61 -169.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.45 -176.26 37.12 Favored Glycine 0 C--N 1.338 0.685 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.505 174.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 13.1 m -127.23 163.74 29.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.055 0.455 . . . . 0.0 110.981 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -150.75 75.65 1.22 Allowed 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.49 -141.15 29.35 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 107.713 -2.155 . . . . 0.0 107.713 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -68.97 -11.66 60.94 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.961 175.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.52 149.02 31.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -141.27 122.84 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 -175.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 31.6 ttm-85 -90.8 125.14 35.62 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.88 154.14 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.361 -172.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.428 ' HA3' ' HE2' ' A' ' 1' ' ' MET . . . -122.34 151.83 16.88 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.2 mt -140.82 144.07 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -143.84 103.52 4.06 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -174.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.07 159.09 36.09 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.825 0.85 . . . . 0.0 109.801 -176.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.32 150.19 84.69 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.416 2.744 . . . . 0.0 110.351 173.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -64.7 -5.38 5.64 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.993 -0.442 . . . . 0.0 110.693 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -67.04 -7.21 21.02 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.618 0.767 . . . . 0.0 110.607 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.07 168.85 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.341 1.056 . . . . 0.0 108.517 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.51 155.81 32.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 122.269 -0.27 . . . . 0.0 111.342 -173.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 9.6 m -144.55 127.62 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.092 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -157.85 159.07 36.26 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -71.16 160.67 32.45 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.125 173.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -56.77 -23.47 43.3 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.518 0.727 . . . . 0.0 112.615 -175.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.36 -39.53 47.14 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.832 -0.543 . . . . 0.0 111.082 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.31 -33.0 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.428 ' HA ' ' CG1' ' C' ' 51' ' ' ILE . 87.9 t80 -56.47 -30.5 62.99 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.042 0.537 . . . . 0.0 112.08 -175.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -71.83 -19.03 62.04 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 122.004 -0.435 . . . . 0.0 111.256 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -86.35 -15.32 40.86 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.428 ' CG1' ' HA ' ' C' ' 48' ' ' TYR . 14.1 mm -80.3 -57.81 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 121.799 0.809 . . . . 0.0 108.817 178.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -68.61 3.23 1.94 Allowed 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.928 0.891 . . . . 0.0 112.309 -172.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.64 -13.5 62.34 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 122.91 0.484 . . . . 0.0 112.128 175.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.71 11.64 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 CA-C-O 119.265 -0.742 . . . . 0.0 114.514 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -152.48 179.94 8.13 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.69 1.245 . . . . 0.0 110.707 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -152.14 -30.16 0.16 Allowed 'General case' 0 C--N 1.341 0.2 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 176.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.12 65.28 4.03 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 118.18 0.445 . . . . 0.0 111.193 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.68 167.27 0.44 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 124.014 3.143 . . . . 0.0 114.603 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 CA--C 1.531 0.233 0 CA-C-N 115.27 -0.877 . . . . 0.0 113.218 -175.882 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.424 HO2' " H5'" ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C5'-C4'-C3' 111.447 -2.702 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.473 HO2' " H5'" ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 99.363 -3.337 . 0.81 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.473 " H5'" HO2' ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C4'-C3'-C2' 99.504 -3.196 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.721 -2.979 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.658 HO2' " H5'" ' D' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.701 1 C4'-C3'-C2' 98.646 -4.054 . 0.734 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . 0.658 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 O4'-C1'-N19 111.25 3.05 . 0.417 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.618 " H5'" HO2' ' D' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 O4'-C1'-N19 111.241 3.041 . 0.635 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . 0.533 " H5'" HO2' ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 C4'-C3'-C2' 100.377 -2.323 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.511 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.74 1 C5'-C4'-C3' 109.189 -4.207 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.511 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 C5'-C4'-C3' 111.523 -2.651 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C3'-C2'-C1' 104.104 2.893 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 0 C5'-C4'-C3' 111.438 -2.708 . 0.132 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 1 C5'-C4'-C3' 107.467 -5.356 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 C5'-C4'-C3' 110.193 -3.538 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . 0.553 HO2' " H5'" ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.148 -3.552 . 0.654 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.626 HO2' " H5'" ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 98.927 -3.773 . 0.712 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . 0.626 " H5'" HO2' ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 C4'-C3'-C2' 99.456 -3.244 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.416 HO2' " H5'" ' D' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.777 -2.923 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.416 " H5'" HO2' ' D' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.814 0 C4'-C3'-C2' 99.516 -3.184 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.507 HO2' " H5'" ' D' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.427 -3.273 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . 0.507 " H5'" HO2' ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.869 -2.831 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 9.9 tpp . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.533 0.206 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.41 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.9 tm? -128.54 106.15 8.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 172.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 1' ' ' MET . 5.0 mp -101.95 143.49 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.132 0.973 . . . . 0.0 110.535 -174.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.81 173.9 13.16 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.149 0.579 . . . . 0.0 110.453 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.3 p -113.94 156.32 24.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.069 0.461 . . . . 0.0 111.903 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.69 164.21 32.49 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.12 1.368 . . . . 0.0 108.535 170.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -107.52 160.82 15.37 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.7 m -59.95 128.82 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.522 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.86 10.01 53.28 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 119.344 -0.698 . . . . 0.0 112.903 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -116.48 174.58 5.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 118.416 1.108 . . . . 0.0 110.717 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -137.47 174.19 10.86 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -168.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -152.81 165.73 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 127.383 2.273 . . . . 0.0 106.579 -173.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -143.68 154.37 43.44 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 118.329 0.513 . . . . 0.0 112.237 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.2 mt -146.7 150.41 14.99 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 123.879 0.872 . . . . 0.0 110.017 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.27 13.81 7.72 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.545 1.069 . . . . 0.0 114.87 170.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 55.57 12.11 0.74 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.2 1.0 . . . . 0.0 113.533 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -142.18 9.86 1.9 Allowed 'General case' 0 C--N 1.34 0.192 0 C-N-CA 123.358 0.663 . . . . 0.0 110.772 175.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.95 150.3 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 121.302 0.573 . . . . 0.0 109.592 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.3 m -137.4 149.93 47.29 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 mm -133.03 147.53 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -146.14 128.23 15.61 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -78.72 96.49 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 174.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.439 HD13 " H1'" ' D' ' 67' ' ' ' C' . 23.5 mt -70.23 -27.53 64.53 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.24 -0.287 . . . . 0.0 111.087 -173.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.87 -178.84 39.16 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.04 164.2 26.27 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 121.126 0.488 . . . . 0.0 110.838 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -151.28 73.08 1.08 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.32 -138.67 29.53 Favored Glycine 0 C--N 1.337 0.629 0 N-CA-C 108.881 -1.688 . . . . 0.0 108.881 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -67.45 -12.72 60.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.245 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.75 150.11 24.81 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 52.3 t -140.73 127.42 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -95.28 131.25 41.56 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.78 151.49 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -171.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.4 149.48 18.01 Favored Glycine 0 C--N 1.333 0.362 0 N-CA-C 108.516 -1.834 . . . . 0.0 108.516 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -138.56 143.87 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -144.22 104.46 4.11 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.165 0.507 . . . . 0.0 109.943 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.28 157.92 41.8 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 123.844 0.857 . . . . 0.0 108.727 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -61.97 146.42 96.32 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.175 1.917 . . . . 0.0 108.82 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE3' " H2'" ' D' ' 65' ' ' ' G' . 14.1 tptm -62.59 -8.41 6.4 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.023 0.44 . . . . 0.0 110.916 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.55 -6.5 15.28 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.427 1.891 . . . . 0.0 112.258 176.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -132.76 169.02 22.82 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.5 153.25 30.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 117.697 0.226 . . . . 0.0 111.507 -173.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 m -147.13 128.84 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -158.87 163.97 36.13 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 118.184 0.447 . . . . 0.0 110.035 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -64.91 155.77 33.2 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 171.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -57.32 -30.74 65.04 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.117 -0.365 . . . . 0.0 111.722 -176.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.57 -35.94 70.75 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 122.124 -0.36 . . . . 0.0 111.309 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -82.71 -30.46 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -176.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -57.81 -25.06 60.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.803 0.841 . . . . 0.0 111.236 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -67.57 -14.73 63.19 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.724 0.41 . . . . 0.0 111.981 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -80.43 -41.51 24.39 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.431 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.4 mp -67.58 -8.91 9.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.318 1.047 . . . . 0.0 109.53 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -118.23 -6.01 10.86 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -138.55 -2.99 1.72 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -176.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.401 ' H ' ' H ' ' A' ' 55' ' ' LEU . . . -156.2 -11.47 0.06 OUTLIER Glycine 0 CA--C 1.528 0.855 0 CA-C-N 119.072 0.851 . . . . 0.0 112.077 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.401 ' H ' ' H ' ' A' ' 54' ' ' GLY . 0.9 OUTLIER 53.93 -175.05 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.26 1.824 . . . . 0.0 112.93 178.671 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.8 p -136.51 6.7 3.01 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.268 0.627 . . . . 0.0 111.077 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.17 65.08 5.97 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 122.861 0.464 . . . . 0.0 110.977 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -52.56 172.09 0.18 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 124.227 3.285 . . . . 0.0 114.256 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 CA--C 1.533 0.322 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.847 -178.053 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.453 HO2' " H5'" ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.956 -2.744 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.453 " H5'" HO2' ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.151 -3.549 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . 0.5 HO2' " H5'" ' B' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 C4'-C3'-C2' 99.525 -3.175 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . 0.5 " H5'" HO2' ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 O4'-C1'-N19 111.204 3.004 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.917 1 C4'-C3'-C2' 98.517 -4.183 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 98.721 -3.979 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.607 HO2' " H5'" ' B' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 O4'-C1'-N19 111.202 3.002 . 0.543 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . 0.607 " H5'" HO2' ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.993 -2.707 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.534 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.684 1 C5'-C4'-C3' 109.267 -4.155 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.534 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 O4'-C1'-N19 110.679 2.479 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.814 0 O4'-C1'-N19 110.942 2.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.248 0 C5'-C4'-C3' 110.591 -3.273 . 0.122 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . 0.403 ' C6 ' ' CE ' ' A' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.418 -2.899 1 C5'-C4'-C3' 105.343 -6.771 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 1 P-O3'-C3' 125.155 4.545 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.037 -3.663 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 1 C4'-C3'-C2' 98.657 -4.043 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . 0.547 HO2' " H5'" ' B' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 98.801 -3.899 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.547 " H5'" HO2' ' B' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.658 -3.042 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.403 " H5'" HO2' ' B' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 C4'-C3'-C2' 99.225 -3.475 . 0.858 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.438 -3.262 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 C4'-C3'-C2' 100.12 -2.58 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mmm . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.731 0.301 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.61 113.66 11.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 169.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.461 ' CD1' " H4'" ' D' ' 67' ' ' ' C' . 4.7 mp -112.02 141.85 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.07 0.948 . . . . 0.0 109.797 -172.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -163.25 176.12 10.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.926 0.49 . . . . 0.0 110.591 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 23.8 p -122.07 153.98 37.93 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.298 0.57 . . . . 0.0 111.188 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.411 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -147.7 168.08 23.01 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.721 1.608 . . . . 0.0 107.199 173.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -115.06 162.09 17.48 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.851 0.358 . . . . 0.0 110.332 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.4 m -54.81 127.56 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.687 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.04 -15.01 55.58 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.679 0.657 . . . . 0.0 112.241 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -84.68 178.14 7.78 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.019 0.91 . . . . 0.0 110.84 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 28.3 m -139.53 166.77 23.71 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.374 0.607 . . . . 0.0 112.291 -174.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mt -142.63 167.37 14.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 125.627 1.571 . . . . 0.0 107.081 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -140.62 154.65 46.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.807 -0.558 . . . . 0.0 111.351 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -139.83 141.62 33.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 123.865 0.866 . . . . 0.0 108.743 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.78 -133.84 49.96 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -137.68 17.15 2.89 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -142.04 6.96 1.79 Allowed 'General case' 0 C--O 1.231 0.089 0 C-N-CA 123.237 0.615 . . . . 0.0 111.766 -178.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.1 147.41 33.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 118.801 0.728 . . . . 0.0 110.506 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.0 m -138.07 154.98 49.23 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -136.99 146.5 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -177.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.6 m -140.64 129.49 23.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.5 95.2 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -69.2 -29.76 67.79 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.062 -170.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.13 -175.67 40.2 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.55 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 m -124.93 163.07 26.04 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 CA-C-O 121.092 0.473 . . . . 0.0 110.44 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -151.51 68.75 0.91 Allowed 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.48 -138.54 29.09 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -172.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -65.34 -13.06 57.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.793 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -88.65 145.94 25.38 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -133.72 131.47 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -177.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.9 ttm-85 -101.0 129.06 46.78 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.23 154.95 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 -170.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.49 20.23 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 1' ' ' MET . 5.3 mp -133.42 144.88 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -137.53 108.78 6.83 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.78 160.06 31.36 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.045 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.52 152.64 80.36 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.387 2.725 . . . . 0.0 110.75 174.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -65.19 -6.01 8.32 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 122.208 -0.308 . . . . 0.0 110.59 175.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -66.58 -7.86 23.08 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.329 0.652 . . . . 0.0 111.094 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.0 166.06 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 154.03 31.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 121.231 -0.187 . . . . 0.0 110.988 -173.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.5 m -145.26 129.61 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -157.15 159.89 38.24 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -66.08 158.14 29.26 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 169.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.61 -23.03 57.97 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -173.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.75 -45.34 62.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.072 -0.393 . . . . 0.0 110.37 -177.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.25 -28.88 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.48 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.2 t80 -59.94 -39.21 84.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.289 0.236 . . . . 0.0 111.247 -178.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -69.11 -15.05 63.34 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -176.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -86.23 -9.93 55.59 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.633 0.373 . . . . 0.0 110.331 175.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 93.6 mt -110.3 -36.28 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 122.696 0.398 . . . . 0.0 111.574 -172.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 70.7 mm-40 -76.54 0.11 21.16 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 122.217 -0.302 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.3 -17.53 64.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.98 20.42 0.09 OUTLIER Glycine 0 C--N 1.342 0.892 0 CA-C-O 119.091 -0.838 . . . . 0.0 114.295 178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -145.35 31.62 1.1 Allowed 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 118.809 1.304 . . . . 0.0 113.699 -171.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 38.5 p -65.82 -2.7 4.01 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.606 -0.684 . . . . 0.0 112.341 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.0 71.39 12.25 Favored Pre-proline 0 N--CA 1.455 -0.212 0 C-N-CA 124.075 0.95 . . . . 0.0 109.693 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -49.25 -31.32 21.94 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 124.521 3.48 . . . . 0.0 114.431 -176.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -175.44 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.427 HO2' " H5'" ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C5'-C4'-C3' 111.344 -2.771 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.495 HO2' " H5'" ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.855 0 C4'-C3'-C2' 99.067 -3.633 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.495 " H5'" HO2' ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C4'-C3'-C2' 99.143 -3.557 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.483 " H5'" HO2' ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 O4'-C1'-N19 111.679 3.479 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.466 " H5'" HO2' ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.067 -3.633 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . 0.603 HO2' " H5'" ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C4'-C3'-C2' 98.804 -3.896 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.616 HO2' " H5'" ' D' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 O4'-C1'-N19 111.326 3.126 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . 0.616 " H5'" HO2' ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 99.95 -2.75 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.528 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.717 1 C5'-C4'-C3' 109.221 -4.186 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.528 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 100.031 -2.669 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . 0.41 " H2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 C3'-C2'-C1' 103.98 2.756 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C3'-C2'-C1' 103.567 2.296 . 0.14 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . 0.461 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 C4'-C3'-C2' 99.134 -3.566 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.901 0 C4'-C3'-C2' 100.042 -2.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . 0.473 HO2' " H5'" ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 C4'-C3'-C2' 99.266 -3.434 . 0.826 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.473 " H5'" HO2' ' D' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.552 1 C4'-C3'-C2' 98.674 -4.026 . 0.78 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.133 -3.567 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.404 HO2' " H5'" ' D' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C4'-C3'-C2' 99.947 -2.753 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.404 " H5'" HO2' ' D' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.617 -3.083 . 0.852 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.487 HO2' " H5'" ' D' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.831 0 C4'-C3'-C2' 99.378 -3.322 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . 0.487 " H5'" HO2' ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 100.169 -2.531 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.508 ' HE2' ' C6 ' ' B' ' 67' ' ' ' C' . 12.0 ttp . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 111.137 0.051 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.78 127.69 49.48 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.465 HD12 " H5'" ' B' ' 67' ' ' ' C' . 4.5 mp -129.88 141.3 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 C-N-CA 123.201 0.6 . . . . 0.0 109.603 -171.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.53 163.52 32.75 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.236 176.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -94.88 155.46 16.77 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -148.77 140.18 23.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -96.06 159.15 15.11 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.728 0.694 . . . . 0.0 110.452 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.5 m -52.25 140.48 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.86 -15.65 58.71 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 119.256 -0.747 . . . . 0.0 113.328 175.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -81.7 179.49 7.81 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.718 1.259 . . . . 0.0 111.005 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -138.71 170.22 16.38 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.427 0.632 . . . . 0.0 112.237 -174.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.4 mt -153.36 158.53 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 126.169 1.787 . . . . 0.0 107.555 -172.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -137.07 153.98 50.45 Favored 'General case' 0 C--O 1.231 0.086 0 O-C-N 122.125 -0.359 . . . . 0.0 110.65 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -146.54 146.77 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.631 0.772 . . . . 0.0 110.037 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.24 14.86 4.86 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.54 1.067 . . . . 0.0 114.82 171.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 54.5 12.87 0.58 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -140.44 8.19 2.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.364 0.665 . . . . 0.0 110.51 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.21 146.61 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -135.33 151.12 50.22 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -135.09 145.65 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -137.37 128.64 27.94 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.13 88.26 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.3 mt -63.71 -24.8 67.92 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.84 -177.67 42.02 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.475 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -137.65 146.84 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.451 0.7 . . . . 0.0 109.174 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -147.61 68.85 1.13 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.014 0.926 . . . . 0.0 108.55 -176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.31 -135.6 22.62 Favored Glycine 0 C--N 1.336 0.551 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -65.79 -17.7 64.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.859 176.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.42 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 2.5 tp-100 -86.33 149.4 25.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.684 0.674 . . . . 0.0 109.919 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -143.07 133.84 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -107.61 133.39 52.12 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -135.58 155.61 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.08 -170.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.88 153.52 19.37 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.8 mt -135.82 144.91 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -143.01 108.87 5.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.76 159.04 36.79 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.743 0.817 . . . . 0.0 109.095 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.52 150.38 88.66 Favored 'Trans proline' 0 N--CA 1.449 -1.104 0 C-N-CA 122.313 2.009 . . . . 0.0 109.782 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -68.97 -0.72 5.99 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.766 -0.584 . . . . 0.0 110.557 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -68.52 -7.68 34.48 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.19 0.996 . . . . 0.0 110.815 171.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -135.84 169.17 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.0 160.57 27.33 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.151 -0.343 . . . . 0.0 111.485 -173.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 m -144.86 131.62 15.53 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.062 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -156.37 167.08 31.56 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 117.886 0.312 . . . . 0.0 110.91 175.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -61.82 156.35 20.8 Favored 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 171.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -62.21 -37.36 85.05 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.157 -0.339 . . . . 0.0 111.07 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -72.49 -20.88 61.29 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.097 0.559 . . . . 0.0 112.0 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.5 mm -90.69 -30.32 4.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.465 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 78.1 t80 -61.31 -36.26 79.62 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.347 1.059 . . . . 0.0 111.454 -176.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -69.47 -18.44 63.71 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.769 -0.582 . . . . 0.0 112.014 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -80.65 -9.59 59.78 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 176.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.0 mt -110.7 -42.91 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 122.596 0.358 . . . . 0.0 110.985 -174.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 77.3 mm-40 -70.12 0.73 5.64 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.085 -0.384 . . . . 0.0 111.847 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.62 -15.97 63.26 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.72 15.44 0.06 OUTLIER Glycine 0 CA--C 1.527 0.842 0 CA-C-O 119.326 -0.708 . . . . 0.0 113.769 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -152.39 -170.12 3.55 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.4 1.1 . . . . 0.0 111.472 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m -134.53 -6.5 2.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.033 0.533 . . . . 0.0 110.517 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.92 112.66 2.52 Favored Pre-proline 0 CA--C 1.536 0.409 0 C-N-CA 123.272 0.629 . . . . 0.0 109.338 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.22 -167.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 125.224 3.949 . . . . 0.0 115.944 174.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 N--CA 1.45 -0.446 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.48 -172.024 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C5'-C4'-C3' 111.507 -2.662 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.504 HO2' " H5'" ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C4'-C3'-C2' 99.172 -3.528 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . 0.504 " H5'" HO2' ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.328 -3.372 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . 0.475 HO2' " H5'" ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.495 -3.205 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.475 " H5'" HO2' ' B' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.29 -3.41 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . 0.548 HO2' " H5'" ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C4'-C3'-C2' 98.904 -3.796 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.594 HO2' " H5'" ' B' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 O4'-C1'-N19 111.062 2.862 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . 0.594 " H5'" HO2' ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 100.273 -2.427 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.526 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.612 1 O4'-C1'-N19 112.234 4.034 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.526 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 C4'-C3'-C2' 99.984 -2.716 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.482 0 O4'-C1'-N19 111.15 2.95 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . 0.564 " C2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C3'-C2'-C1' 104.387 3.208 . 0.611 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . 0.564 H5'' " C2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.374 2 O5'-C5'-C4' 118.875 6.196 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . 0.511 " C5'" " H4'" ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.059 1 P-O3'-C3' 125.047 4.456 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C4'-C3'-C2' 99.237 -3.463 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.151 -3.549 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 0 C4'-C3'-C2' 99.453 -3.247 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.449 HO2' " H5'" ' B' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 99.919 -2.781 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.486 HO2' " H5'" ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 C4'-C3'-C2' 99.386 -3.314 . 0.85 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.486 " H5'" HO2' ' B' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.331 -3.369 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C4'-C3'-C2' 99.989 -2.711 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 110.783 -0.08 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -124.35 102.33 7.62 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 169.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -85.04 150.6 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.553 0.741 . . . . 0.0 109.032 -178.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.603 HD12 ' H ' ' C' ' 5' ' ' THR . 0.2 OUTLIER -154.77 165.66 35.91 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -173.035 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.603 ' H ' HD12 ' C' ' 4' ' ' LEU . 0.0 OUTLIER -134.42 146.34 49.75 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -148.63 162.57 39.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -175.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.42 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 41.6 mtmt -120.04 161.4 21.01 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.469 0.652 . . . . 0.0 110.448 172.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -56.6 129.02 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.317 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.94 7.05 56.75 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.463 -0.632 . . . . 0.0 113.099 178.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -115.29 179.48 3.95 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.322 1.061 . . . . 0.0 110.464 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.8 m -141.27 170.26 16.06 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -173.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 49.6 mt -143.58 165.83 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 126.513 1.925 . . . . 0.0 106.957 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -136.76 154.93 50.44 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-N 118.564 0.62 . . . . 0.0 111.808 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -139.64 146.44 25.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -137.71 42.05 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -135.27 17.17 3.42 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.956 0.502 . . . . 0.0 109.692 175.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -143.23 9.29 1.65 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.69 0.796 . . . . 0.0 111.597 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.03 149.08 33.36 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 CA-C-N 118.893 0.769 . . . . 0.0 110.819 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 45.4 m -139.3 154.54 47.94 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.6 mm -135.15 148.61 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -144.21 150.08 37.41 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -111.45 90.26 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.64 -24.64 63.66 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.225 -169.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.98 -177.77 40.34 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.607 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -127.27 161.67 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 CA-C-O 121.381 0.61 . . . . 0.0 110.731 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 56.9 m -151.17 64.4 0.9 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.36 -135.93 21.61 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.4 -14.98 62.1 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 117.463 0.631 . . . . 0.0 110.98 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -88.95 149.63 23.21 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.03 131.26 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -95.02 128.69 42.04 Favored 'General case' 0 CA--C 1.523 -0.087 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -131.38 154.44 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -170.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.33 149.79 17.54 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -136.75 140.05 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -141.75 104.37 4.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 -172.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.97 162.05 30.49 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 124.003 0.921 . . . . 0.0 109.372 -177.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.8 151.49 85.52 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.759 2.306 . . . . 0.0 110.352 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -67.76 -1.84 6.06 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.837 -0.539 . . . . 0.0 110.697 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -68.39 -7.76 34.34 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.921 0.889 . . . . 0.0 110.481 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -136.26 168.98 21.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.45 159.32 32.22 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 122.007 -0.433 . . . . 0.0 111.314 -174.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.53 130.32 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -157.12 162.2 39.41 Favored 'General case' 0 C--O 1.231 0.129 0 O-C-N 121.732 -0.605 . . . . 0.0 110.81 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -59.11 147.44 34.99 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 169.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.13 -22.4 64.64 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.27 0.486 . . . . 0.0 112.238 -175.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -72.21 -43.03 65.07 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.73 -0.606 . . . . 0.0 110.479 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.7 mm -73.58 -31.94 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -53.03 -38.3 62.27 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.98 0.912 . . . . 0.0 111.5 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -63.06 -14.4 47.71 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.576 0.75 . . . . 0.0 112.839 -174.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -80.2 -39.39 29.29 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp -71.34 -14.17 17.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 123.704 0.801 . . . . 0.0 109.644 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -102.58 0.66 33.75 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.37 -4.32 1.48 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -173.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.42 -10.61 0.03 OUTLIER Glycine 0 CA--C 1.526 0.767 0 CA-C-N 119.462 1.028 . . . . 0.0 113.153 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' C' ' 55' ' ' LEU . 0.0 OUTLIER 68.07 -178.14 0.21 Allowed 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.955 1.302 . . . . 0.0 111.289 169.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 74.0 p -135.39 7.54 3.34 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.842 0.457 . . . . 0.0 111.351 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.49 58.24 3.24 Favored Pre-proline 0 CA--C 1.534 0.327 0 C-N-CA 122.836 0.454 . . . . 0.0 111.363 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -48.06 164.81 0.16 Allowed 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 123.987 3.125 . . . . 0.0 115.17 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t70 . . . . . 0 CA--C 1.53 0.186 0 C-N-CA 124.883 1.273 . . . . 0.0 113.276 -178.122 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.437 HO2' " H5'" ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.87 -2.83 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.504 HO2' " H5'" ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.252 -3.448 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.509 HO2' " H5'" ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.191 -3.509 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.509 " H5'" HO2' ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.386 3.186 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.427 " H5'" HO2' ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 98.918 -3.782 . 0.743 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . 0.516 HO2' " H5'" ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 C4'-C3'-C2' 99.479 -3.221 . 0.641 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.557 HO2' " H5'" ' D' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 O4'-C1'-N19 111.408 3.208 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . 0.557 " H5'" HO2' ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 O4'-C1'-N19 111.191 2.991 . 0.668 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.602 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 O4'-C1'-N19 110.869 2.669 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.602 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 C4'-C3'-C2' 99.312 -3.388 . 0.02 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 O4'-C1'-N19 110.601 2.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 C5'-C4'-C3' 110.569 -3.287 . 0.251 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.031 1 C5'-C4'-C3' 105.514 -6.657 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 1 P-O3'-C3' 125.403 4.753 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . 0.486 HO2' " H5'" ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.078 -3.622 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.486 " H5'" HO2' ' D' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.462 1 C4'-C3'-C2' 98.26 -4.44 . 0.687 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.319 -3.381 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.452 HO2' " H5'" ' D' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 100.085 -2.615 . 0.731 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.458 HO2' " H5'" ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C4'-C3'-C2' 99.539 -3.161 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.458 " H5'" HO2' ' D' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 C4'-C3'-C2' 99.279 -3.421 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 0 C4'-C3'-C2' 99.648 -3.052 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.467 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 11.9 tpp . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 120.353 0.121 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.8 tm? -127.35 105.35 8.47 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 171.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -99.95 141.86 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.176 0.99 . . . . 0.0 110.179 -174.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.08 167.42 24.35 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.233 0.613 . . . . 0.0 110.583 173.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 p -98.98 160.31 14.35 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.258 0.551 . . . . 0.0 110.359 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -147.95 158.35 44.0 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 172.717 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -102.99 153.71 19.97 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.12 131.03 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.72 6.11 59.65 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 119.411 -0.661 . . . . 0.0 112.809 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -115.86 179.62 3.93 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.457 1.129 . . . . 0.0 110.792 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -135.27 171.57 14.24 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -169.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mt -153.06 159.86 3.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 127.31 2.244 . . . . 0.0 106.52 -171.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -138.07 154.96 49.23 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 118.696 0.68 . . . . 0.0 111.463 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -141.0 142.84 29.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 124.677 1.191 . . . . 0.0 108.733 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.69 -137.69 45.52 Favored Glycine 0 C--N 1.336 0.534 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -135.02 14.87 3.56 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.117 0.567 . . . . 0.0 110.45 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -140.03 8.31 2.28 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.577 0.751 . . . . 0.0 111.548 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.23 146.41 34.28 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 CA-C-N 118.867 0.758 . . . . 0.0 110.801 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.2 m -136.72 156.93 47.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.377 1.071 . . . . 0.0 108.294 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -137.66 146.84 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -140.83 145.04 35.73 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -104.91 90.52 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.24 -26.75 66.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -168.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.78 -177.04 39.02 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.818 176.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.2 m -125.72 162.24 29.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.404 0.621 . . . . 0.0 110.583 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -151.35 65.18 0.89 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.38 -135.92 21.59 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 109.014 -1.634 . . . . 0.0 109.014 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.68 -16.45 63.76 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.693 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.23 150.78 24.14 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -142.3 134.62 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttm-85 -99.37 128.5 45.49 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -132.45 155.05 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 -171.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.9 153.51 20.34 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' C' ' 1' ' ' MET . 73.7 mt -137.32 144.63 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -140.85 109.43 5.94 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.838 0.351 . . . . 0.0 110.473 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.48 159.64 32.35 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.529 1.132 . . . . 0.0 108.042 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' C ' ' H ' ' A' ' 39' ' ' ASP . 29.1 Cg_endo -60.68 149.08 89.36 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 122.011 1.808 . . . . 0.0 108.897 176.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -61.41 -6.73 2.45 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.256 0.55 . . . . 0.0 110.186 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' A' ' 37' ' ' PRO . 19.8 t70 -62.58 -11.12 14.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.413 1.885 . . . . 0.0 112.459 176.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -132.29 172.05 17.03 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . . . -113.93 152.19 31.19 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 122.211 -0.306 . . . . 0.0 110.967 -174.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.7 m -147.48 126.35 4.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.407 ' HE2' ' HB2' ' A' ' 41' ' ' ALA . 8.6 m-70 -157.78 161.93 38.45 Favored 'General case' 0 N--CA 1.457 -0.106 0 O-C-N 121.782 -0.574 . . . . 0.0 110.956 177.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -65.54 153.37 41.67 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 172.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -59.07 -29.96 67.71 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.162 0.185 . . . . 0.0 111.466 -176.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -69.18 -40.84 77.86 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.305 0.242 . . . . 0.0 110.47 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -74.86 -31.35 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.47 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 86.8 t80 -57.61 -33.71 68.52 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.706 0.802 . . . . 0.0 111.59 -177.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.06 -18.4 63.28 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -86.35 -8.48 57.66 Favored 'General case' 0 N--CA 1.46 0.074 0 C-N-CA 122.814 0.446 . . . . 0.0 110.261 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.8 mt -110.7 -35.4 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 122.918 0.487 . . . . 0.0 111.08 -172.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 66.2 mm-40 -78.57 1.89 21.06 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.227 -0.295 . . . . 0.0 111.082 175.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.94 -19.71 66.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.99 21.76 0.06 OUTLIER Glycine 0 C--N 1.34 0.753 0 CA-C-O 118.789 -1.006 . . . . 0.0 114.595 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.78 -33.74 0.33 Allowed 'General case' 0 C--N 1.339 0.131 0 CA-C-N 119.388 1.594 . . . . 0.0 114.485 -174.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 m 39.42 27.88 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.889 1.276 . . . . 0.0 113.785 -174.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.57 68.39 3.53 Favored Pre-proline 0 CA--C 1.536 0.41 0 O-C-N 121.866 -0.521 . . . . 0.0 110.961 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.98 166.39 0.38 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 124.07 3.18 . . . . 0.0 113.679 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.507 -177.474 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.446 HO2' " H5'" ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 C4'-C3'-C2' 99.634 -3.066 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.497 HO2' " H5'" ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.154 -3.546 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . 0.497 " H5'" HO2' ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.154 -3.546 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . 0.49 " H5'" HO2' ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.592 -3.108 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.596 HO2' " H5'" ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 98.736 -3.964 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . 0.596 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 O4'-C1'-N19 111.192 2.992 . 0.482 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.598 HO2' " H5'" ' B' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.823 0 O4'-C1'-N19 111.25 3.05 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . 0.598 " H5'" HO2' ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 O4'-C1'-N19 111.499 3.299 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.587 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C5'-C4'-C3' 109.987 -3.675 OUTLIER-DELTA 0.023 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.587 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.9 -2.8 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 O4'-C1'-N19 110.788 2.588 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.318 0 C5'-C4'-C3' 110.714 -3.191 . 0.166 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.875 1 C5'-C4'-C3' 108.482 -4.679 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C5'-C4'-C3' 109.86 -3.76 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C4'-C3'-C2' 99.77 -2.93 . 0.524 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 98.993 -3.707 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . 0.531 HO2' " H5'" ' B' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 C4'-C3'-C2' 99.222 -3.478 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.531 " H5'" HO2' ' B' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.834 -2.866 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.492 HO2' " H5'" ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.513 -3.187 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.492 " H5'" HO2' ' B' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.513 -3.187 . 0.773 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 99.901 -2.799 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.427 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 12.4 tpp . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 120.483 0.182 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.1 tm? -128.85 106.11 8.69 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 172.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -101.07 142.59 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 123.902 0.881 . . . . 0.0 109.369 -175.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp -162.28 -179.31 6.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.884 0.474 . . . . 0.0 110.632 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -119.68 152.41 37.17 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.491 0.662 . . . . 0.0 111.104 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.7 168.63 20.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.523 1.529 . . . . 0.0 107.755 176.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -118.93 163.33 17.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 174.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.419 HG13 HG13 ' C' ' 25' ' ' VAL . 21.3 m -53.29 136.27 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.692 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.5 -13.89 65.37 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 123.485 0.564 . . . . 0.0 112.485 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -81.96 179.18 7.91 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.908 0.854 . . . . 0.0 111.165 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -140.93 168.85 18.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.379 0.609 . . . . 0.0 111.841 -176.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.441 HG23 ' H ' ' C' ' 13' ' ' ASN . 14.6 mt -143.47 170.05 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 125.603 1.561 . . . . 0.0 107.468 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . 0.441 ' H ' HG23 ' C' ' 12' ' ' ILE . 8.8 t-20 -140.48 154.45 46.6 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.7 -0.625 . . . . 0.0 111.538 -176.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -140.46 138.64 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.07 -129.61 47.91 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 -175.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -141.58 15.5 2.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.037 0.535 . . . . 0.0 110.131 174.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -137.1 7.53 2.91 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.503 0.721 . . . . 0.0 111.526 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.06 143.68 40.3 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-N 118.395 0.543 . . . . 0.0 109.549 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 19.5 m -138.37 155.93 48.07 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -137.35 148.71 25.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -138.86 150.36 45.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -110.99 88.18 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.62 -24.84 67.14 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.262 -168.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.89 -179.01 42.49 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.392 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . 0.419 HG13 HG13 ' C' ' 8' ' ' VAL . 11.6 p -132.69 145.53 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.081 0.552 . . . . 0.0 109.682 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -146.21 60.9 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.491 1.117 . . . . 0.0 108.87 -174.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.03 -136.14 23.68 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.79 -10.06 34.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.335 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -103.39 145.39 30.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 119.048 0.84 . . . . 0.0 109.302 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 31.8 t -135.45 141.12 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -105.47 126.99 52.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -130.78 155.39 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.917 -170.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.54 155.23 21.27 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 1' ' ' MET . 70.4 mt -136.59 144.98 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -140.0 108.25 5.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.14 158.96 32.76 Favored Pre-proline 0 N--CA 1.451 -0.379 0 C-N-CA 123.463 0.705 . . . . 0.0 109.954 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.88 151.5 85.53 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.254 2.636 . . . . 0.0 110.635 174.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -65.2 -4.52 5.21 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.014 -0.429 . . . . 0.0 110.681 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.01 -7.05 19.62 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.636 0.774 . . . . 0.0 110.872 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.33 165.55 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.22 156.29 29.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.078 -0.389 . . . . 0.0 110.922 -174.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 m -144.95 130.99 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -158.8 167.57 29.12 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 122.128 -0.358 . . . . 0.0 110.363 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -60.62 152.27 26.8 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 169.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.91 -23.13 67.22 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.927 0.785 . . . . 0.0 111.576 -178.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -73.12 -30.98 64.02 Favored 'General case' 0 CA--C 1.527 0.083 0 O-C-N 121.816 -0.552 . . . . 0.0 110.877 175.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.7 mm -90.32 -22.4 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.98 -29.52 69.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.896 0.478 . . . . 0.0 110.016 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -68.55 -14.29 62.91 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.904 0.482 . . . . 0.0 110.783 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -81.06 -7.15 59.5 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.67 -0.644 . . . . 0.0 110.348 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -110.57 -14.32 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 123.731 0.812 . . . . 0.0 109.295 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -115.16 -14.26 11.76 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -144.79 -2.1 0.84 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -175.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.64 52.23 0.37 Allowed Glycine 0 C--N 1.336 0.573 0 N-CA-C 110.169 -1.173 . . . . 0.0 110.169 -174.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . 0.634 ' H ' HD21 ' C' ' 55' ' ' LEU . 0.3 OUTLIER -48.76 166.82 0.03 OUTLIER 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.873 1.669 . . . . 0.0 113.376 -172.694 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 44.5 p -58.97 -35.9 73.95 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.991 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.462 ' H ' ' CD ' ' C' ' 58' ' ' PRO . . . -173.58 -41.8 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 124.456 1.103 . . . . 0.0 111.669 173.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . 0.462 ' CD ' ' H ' ' C' ' 57' ' ' ALA . 27.1 Cg_exo -65.88 -178.63 1.06 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.158 2.572 . . . . 0.0 113.611 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.233 174.467 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.465 HO2' " H5'" ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 C5'-C4'-C3' 111.293 -2.805 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.494 HO2' " H5'" ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.346 -3.354 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.51 HO2' " H5'" ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.29 -3.41 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.51 " H5'" HO2' ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 O4'-C1'-N19 111.465 3.265 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.166 -3.534 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . 0.554 HO2' " H5'" ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 C4'-C3'-C2' 99.226 -3.474 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.554 " H5'" HO2' ' D' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 111.291 3.091 . 0.545 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . 0.551 " H5'" HO2' ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 O4'-C1'-N19 111.131 2.931 . 0.58 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.614 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 O4'-C1'-N19 111.437 3.237 . 0.491 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.614 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 99.242 -3.458 . 0.012 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 N19-C1'-C2' 109.221 -2.612 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.331 0 C5'-C4'-C3' 111.463 -2.691 . 0.134 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.942 1 C5'-C4'-C3' 108.952 -4.365 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C5'-C4'-C3' 109.977 -3.682 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . 0.551 HO2' " H5'" ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.338 -3.362 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.551 " H5'" HO2' ' D' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 98.732 -3.968 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.358 -3.342 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.931 -2.769 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.469 HO2' " H5'" ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 99.445 -3.255 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.508 HO2' " H5'" ' D' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 99.313 -3.387 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . 0.508 " H5'" HO2' ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C4'-C3'-C2' 100.146 -2.554 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.411 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 10.3 tpp . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.1 tm? -125.63 103.52 7.89 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 172.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.464 ' CD1' " H4'" ' B' ' 67' ' ' ' C' . 4.4 mp -93.18 151.5 3.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 125.043 1.337 . . . . 0.0 110.442 -174.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt -151.28 175.99 11.67 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 124.107 0.963 . . . . 0.0 111.403 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 p -128.77 122.66 31.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 167.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -123.19 136.14 54.62 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.673 0.789 . . . . 0.0 109.512 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -82.96 156.17 23.61 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 176.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.409 HG12 HG13 ' A' ' 25' ' ' VAL . 14.3 m -57.0 133.0 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.26 2.68 65.78 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.323 -0.709 . . . . 0.0 113.43 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -106.18 179.61 4.22 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.336 1.068 . . . . 0.0 110.552 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -137.69 171.38 14.53 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -170.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -152.09 165.49 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 126.93 2.092 . . . . 0.0 107.037 -173.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -140.27 154.75 46.95 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 121.556 -0.715 . . . . 0.0 111.737 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -140.64 140.16 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.83 -136.38 47.76 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 -177.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -136.44 17.49 3.15 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -141.25 6.3 1.92 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.95 0.5 . . . . 0.0 111.544 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.78 147.73 33.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 118.649 0.659 . . . . 0.0 110.38 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -137.7 151.67 48.47 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.7 mm -135.41 149.2 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.9 m -143.96 151.7 40.1 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.64 87.32 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.29 -25.23 68.21 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -168.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.69 -174.53 43.95 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.531 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.409 HG13 HG12 ' A' ' 8' ' ' VAL . 13.8 p -141.67 144.04 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.579 0.752 . . . . 0.0 109.855 -176.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -148.18 71.22 1.16 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.024 0.93 . . . . 0.0 108.676 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.7 -138.61 28.86 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 -175.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -66.11 -17.32 64.63 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.921 -0.561 . . . . 0.0 110.707 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.91 148.63 25.69 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -144.36 133.92 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -176.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -101.69 131.37 47.99 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -129.33 150.21 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.534 -169.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.13 145.8 17.23 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -137.27 144.2 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -144.06 104.51 4.14 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.24 159.55 33.37 Favored Pre-proline 0 N--CA 1.454 -0.253 0 C-N-CA 123.629 0.772 . . . . 0.0 109.858 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -66.93 153.38 78.11 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.501 2.801 . . . . 0.0 110.701 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -64.68 -1.34 1.82 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.072 -0.392 . . . . 0.0 110.213 173.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -66.42 -10.84 47.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.314 1.046 . . . . 0.0 110.301 173.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -138.07 167.99 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 124.582 1.153 . . . . 0.0 107.921 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.61 154.69 36.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.14 -0.35 . . . . 0.0 110.68 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -145.06 128.09 10.89 Favored 'Isoleucine or valine' 0 C--O 1.229 0.026 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -157.57 163.24 38.55 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.865 0.364 . . . . 0.0 111.054 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -64.23 156.13 29.7 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 169.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -58.59 -30.33 67.12 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.374 -0.204 . . . . 0.0 111.544 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -72.05 -42.18 66.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.956 -0.465 . . . . 0.0 111.618 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.81 -27.3 16.62 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.095 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -58.38 -38.73 77.9 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -62.79 -15.93 55.95 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.7 mmm-85 -76.0 -39.79 55.05 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp -69.78 -17.86 21.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.725 177.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -96.86 -1.45 46.01 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.13 -3.63 1.07 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -173.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.76 -12.79 0.02 OUTLIER Glycine 0 C--N 1.336 0.541 0 CA-C-N 119.747 1.158 . . . . 0.0 113.666 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 66.27 -174.99 0.19 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.736 1.214 . . . . 0.0 111.741 169.519 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -131.08 4.88 4.46 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.167 0.587 . . . . 0.0 110.969 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.12 53.79 0.83 Allowed Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 123.573 0.749 . . . . 0.0 111.345 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -44.97 142.98 4.87 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.456 2.771 . . . . 0.0 113.595 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 125.46 1.504 . . . . 0.0 114.941 176.014 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.417 HO2' " H5'" ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C5'-C4'-C3' 111.273 -2.818 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.417 " H5'" HO2' ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.553 -3.147 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . 0.463 HO2' " H5'" ' B' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 C4'-C3'-C2' 99.435 -3.265 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . 0.463 " H5'" HO2' ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 111.53 3.33 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.421 " H5'" HO2' ' B' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 C4'-C3'-C2' 98.935 -3.765 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.7 -3.0 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.756 -2.944 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 99.39 -3.31 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 0 C5'-C4'-C3' 110.595 -3.27 . 0.304 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.839 0 C5'-C4'-C3' 109.565 -3.957 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.857 0 C3'-C2'-C1' 103.849 2.609 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . 0.402 ' C8 ' ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.096 0 C5'-C4'-C3' 110.135 -3.576 . 0.147 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . 0.464 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 C5'-C4'-C3' 110.845 -3.103 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 C4'-C3'-C2' 100.145 -2.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.177 -3.523 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 1 C4'-C3'-C2' 98.347 -4.353 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . 0.556 HO2' " H5'" ' B' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.245 -3.455 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.556 " H5'" HO2' ' B' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C4'-C3'-C2' 99.514 -3.186 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.479 HO2' " H5'" ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 99.462 -3.238 . 0.858 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.503 HO2' " H5'" ' B' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.513 -3.187 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . 0.503 " H5'" HO2' ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 100.03 -2.67 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mmm . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 121.038 0.447 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -135.92 114.41 11.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 168.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -113.42 142.14 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 C-N-CA 123.324 0.65 . . . . 0.0 109.742 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -161.85 171.1 18.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.923 0.489 . . . . 0.0 110.674 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.4 p -104.95 157.94 16.88 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.601 0.715 . . . . 0.0 110.726 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -147.09 164.14 34.04 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -124.48 157.39 35.38 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.527 0.603 . . . . 0.0 110.157 172.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -53.05 126.6 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.451 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.28 8.93 54.52 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-O 119.488 -0.618 . . . . 0.0 112.926 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -116.19 177.84 4.54 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.203 1.001 . . . . 0.0 110.016 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -138.82 168.84 18.93 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -171.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -144.02 164.25 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.193 1.797 . . . . 0.0 106.695 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -137.67 151.52 48.35 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 121.723 -0.611 . . . . 0.0 110.811 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -145.77 142.51 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.471 0.708 . . . . 0.0 110.24 -177.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.1 13.96 7.56 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.129 0.871 . . . . 0.0 114.592 172.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 55.62 12.17 0.76 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.49 1.116 . . . . 0.0 113.731 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -139.48 5.71 2.25 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.451 0.7 . . . . 0.0 110.635 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -132.17 148.25 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 12.3 m -138.22 154.25 49.1 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.0 mm -133.36 144.74 35.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m -139.07 128.4 24.17 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -84.86 92.42 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 38.4 mt -69.9 -24.05 63.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.511 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.21 -177.52 39.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 177.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -124.17 162.89 24.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 121.651 0.739 . . . . 0.0 110.67 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.4 t -150.88 59.02 0.92 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.32 -132.53 18.74 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -177.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -65.42 -12.33 51.3 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 118.958 -0.544 . . . . 0.0 110.984 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -98.42 147.76 24.39 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.9 t -135.92 130.91 49.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 -177.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -93.17 127.56 38.78 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -135.39 155.27 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -171.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.66 158.1 22.4 Favored Glycine 0 C--N 1.333 0.4 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 1' ' ' MET . 61.2 mt -135.86 144.59 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -139.23 110.67 7.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.26 160.1 31.85 Favored Pre-proline 0 N--CA 1.45 -0.462 0 C-N-CA 123.49 0.716 . . . . 0.0 109.58 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' C' ' 39' ' ' ASP . 37.9 Cg_endo -65.81 153.29 78.76 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.031 2.487 . . . . 0.0 109.981 173.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -67.42 -0.35 3.61 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 122.113 -0.367 . . . . 0.0 110.024 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' C' ' 37' ' ' PRO . 26.7 t70 -66.38 -11.98 54.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.591 1.156 . . . . 0.0 109.962 173.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 m -139.01 169.61 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.559 1.144 . . . . 0.0 108.354 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.6 158.1 29.31 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.493 0.187 . . . . 0.0 110.861 -175.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -145.47 130.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.34 0.169 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -156.86 164.13 38.41 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 118.024 0.374 . . . . 0.0 110.558 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -64.04 156.22 28.8 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 171.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -60.5 -24.0 64.96 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.254 -0.279 . . . . 0.0 111.457 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -68.82 -50.7 47.9 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.848 -0.532 . . . . 0.0 110.491 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.0 -27.97 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -173.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.493 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 73.7 t80 -61.3 -38.19 85.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 122.649 0.38 . . . . 0.0 110.697 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -71.21 -17.37 62.51 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -81.76 -10.6 59.31 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 122.676 0.391 . . . . 0.0 110.268 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 95.4 mt -110.02 -44.14 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 122.311 0.244 . . . . 0.0 110.374 -173.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.493 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 47.2 mm-40 -69.91 1.54 4.36 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.261 -0.274 . . . . 0.0 111.612 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.53 -15.73 63.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.875 0.47 . . . . 0.0 111.476 175.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.13 15.74 0.09 OUTLIER Glycine 0 CA--C 1.529 0.939 0 CA-C-O 118.923 -0.932 . . . . 0.0 114.557 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -154.51 -176.72 6.03 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 118.922 1.361 . . . . 0.0 112.762 -172.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -144.73 6.72 1.23 Allowed 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.043 0.937 . . . . 0.0 110.613 174.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.99 126.17 4.16 Favored Pre-proline 0 N--CA 1.451 -0.421 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -51.83 173.09 0.11 Allowed 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 124.407 3.405 . . . . 0.0 113.91 173.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.232 0.184 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.251 -178.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 100.138 -2.562 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.48 HO2' " H5'" ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C4'-C3'-C2' 99.156 -3.544 . 0.819 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.481 HO2' " H5'" ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.394 0 C4'-C3'-C2' 99.331 -3.369 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.481 " H5'" HO2' ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 99.67 -3.03 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.572 HO2' " H5'" ' D' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 C4'-C3'-C2' 99.037 -3.663 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . 0.572 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C4'-C3'-C2' 99.205 -3.495 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.568 HO2' " H5'" ' D' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 O4'-C1'-N19 111.388 3.188 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . 0.568 " H5'" HO2' ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O4'-C1'-N19 111.515 3.315 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.656 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 111.395 3.195 . 0.583 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.656 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.349 -3.351 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C3'-C2'-C1' 103.876 2.64 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 0 C5'-C4'-C3' 111.686 -2.543 . 0.152 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 1 C5'-C4'-C3' 108.237 -4.842 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C5'-C4'-C3' 110.515 -3.324 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . 0.529 HO2' " H5'" ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.368 -3.332 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.529 " H5'" HO2' ' D' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.572 1 C4'-C3'-C2' 98.659 -4.041 . 0.747 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . 0.527 HO2' " H5'" ' D' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.345 -3.355 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.527 " H5'" HO2' ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.672 -3.028 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.475 HO2' " H5'" ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.374 -3.326 . 0.863 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.514 HO2' " H5'" ' D' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.274 -3.426 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . 0.514 " H5'" HO2' ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.897 -2.803 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HE2' ' C6 ' ' B' ' 67' ' ' ' C' . 13.4 ttp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 119.71 -0.186 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -119.43 125.46 49.01 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.412 HD12 " H5'" ' B' ' 67' ' ' ' C' . 4.6 mp -125.8 144.36 36.15 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 123.244 0.618 . . . . 0.0 110.137 -170.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.39 168.66 24.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.716 0.806 . . . . 0.0 109.389 174.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.7 p -104.31 157.34 17.21 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.868 174.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -147.39 139.15 24.12 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -86.0 156.32 20.49 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -58.45 133.79 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.084 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.16 4.99 60.97 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.411 -0.661 . . . . 0.0 112.857 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -114.46 177.59 4.59 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.248 1.024 . . . . 0.0 110.401 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -137.26 171.29 14.71 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -169.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.4 mt -144.7 166.76 11.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 126.589 1.956 . . . . 0.0 106.727 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -142.34 154.26 44.52 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 121.568 -0.708 . . . . 0.0 112.119 -176.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.8 mt -146.5 151.08 14.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 C-N-CA 123.815 0.846 . . . . 0.0 110.2 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 15.19 9.72 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.457 1.027 . . . . 0.0 114.9 169.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 55.96 12.01 0.83 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.225 1.01 . . . . 0.0 113.581 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -144.74 8.02 1.28 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.543 0.737 . . . . 0.0 111.157 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.22 149.82 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-O 121.447 0.641 . . . . 0.0 109.659 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -137.07 150.31 47.96 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.5 mm -132.91 146.5 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -143.22 126.7 16.82 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -80.25 89.39 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.64 -29.79 70.8 Favored 'General case' 0 C--N 1.338 0.083 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.513 -171.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.38 -178.54 40.85 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.5 m -129.98 161.58 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-O 121.094 0.473 . . . . 0.0 110.769 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -150.3 73.16 1.13 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.02 -137.89 26.01 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -175.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -66.23 -14.26 61.66 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.124 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -83.03 151.62 25.74 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 118.741 0.701 . . . . 0.0 109.162 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.6 t -142.97 127.89 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.0 ttm-85 -96.3 132.69 41.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -132.85 147.21 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -170.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.13 149.87 18.72 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.3 mt -138.26 144.08 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.414 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -144.65 106.11 4.24 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.68 158.07 37.9 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.468 0.707 . . . . 0.0 109.547 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.8 151.25 86.41 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 123.05 2.5 . . . . 0.0 110.305 175.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HE3' " H2'" ' D' ' 65' ' ' ' G' . 18.3 mmtm -64.76 -7.14 9.79 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.049 -0.407 . . . . 0.0 110.661 176.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.75 -7.2 19.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.119 0.968 . . . . 0.0 110.928 174.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.89 169.03 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.36 155.73 30.18 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.99 -0.444 . . . . 0.0 111.23 -173.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.4 m -146.33 126.6 6.06 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -158.3 169.89 23.47 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 121.776 -0.577 . . . . 0.0 111.534 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.4 mtm180 -68.49 153.09 44.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 170.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -58.71 -28.8 66.14 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.724 0.41 . . . . 0.0 111.54 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.54 -43.24 77.09 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.55 0.34 . . . . 0.0 110.897 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -75.81 -27.63 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -176.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 82.9 t80 -61.05 -33.62 73.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.327 0.651 . . . . 0.0 111.413 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.64 -17.69 62.24 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 117.985 0.357 . . . . 0.0 111.772 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -86.42 -8.81 57.33 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.819 0.447 . . . . 0.0 110.093 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.7 mt -110.84 -33.21 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.145 0.578 . . . . 0.0 110.297 -174.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 78.9 mm-40 -82.5 3.34 28.79 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.281 -0.262 . . . . 0.0 110.931 175.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.29 -18.41 63.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.02 20.89 0.09 OUTLIER Glycine 0 C--N 1.342 0.883 0 CA-C-O 118.705 -1.053 . . . . 0.0 114.432 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.78 -26.4 0.41 Allowed 'General case' 0 N--CA 1.461 0.087 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 -172.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 m 33.85 43.66 0.07 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.164 0.986 . . . . 0.0 113.107 -172.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.94 77.18 11.16 Favored Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 123.268 0.627 . . . . 0.0 110.328 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.37 169.92 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 124.308 3.339 . . . . 0.0 113.803 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.818 -179.718 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.444 HO2' " H5'" ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 99.996 -2.704 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.492 HO2' " H5'" ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.474 0 C4'-C3'-C2' 99.084 -3.616 . 0.81 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . 0.504 HO2' " H5'" ' B' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.453 0 C4'-C3'-C2' 99.079 -3.621 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . 0.504 " H5'" HO2' ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 111.287 3.087 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.656 HO2' " H5'" ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 98.726 -3.974 . 0.732 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . 0.656 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.882 -2.818 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.569 " H5'" HO2' ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.946 -2.754 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . 0.565 " H5'" HO2' ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 100.095 -2.605 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.424 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.925 1 C3'-C2'-C1' 105.52 4.467 OUTLIER-DELTA 0.15 1t . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.424 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 C4'-C3'-C2' 99.742 -2.958 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . 0.533 " H2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 C3'-C2'-C1' 104.056 2.84 . 0.483 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . 0.533 H5'' " H2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.253 2 O5'-C5'-C4' 117.316 5.083 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . 0.479 HO2' " H5'" ' B' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.068 1 P-O3'-C3' 124.721 4.184 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . 0.479 " H5'" HO2' ' B' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.943 -2.757 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C4'-C3'-C2' 98.768 -3.932 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C4'-C3'-C2' 99.512 -3.188 . 0.595 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.97 -2.73 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.475 HO2' " H5'" ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.549 -3.151 . 0.868 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.487 HO2' " H5'" ' B' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.392 -3.308 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . 0.487 " H5'" HO2' ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C4'-C3'-C2' 99.973 -2.727 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.7 mmm . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.851 0.358 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.88 114.27 11.65 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 168.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -114.1 143.92 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.71 0.804 . . . . 0.0 110.223 -172.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -164.84 -178.66 5.36 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.177 0.591 . . . . 0.0 110.56 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.9 p -121.11 157.32 30.38 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.345 0.593 . . . . 0.0 111.561 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.61 165.3 29.92 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.029 1.732 . . . . 0.0 107.594 176.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -117.92 161.53 19.61 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 170.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 m -49.8 130.22 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 O-C-N 123.047 0.217 . . . . 0.0 110.972 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.19 6.94 59.83 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 119.482 -0.621 . . . . 0.0 113.042 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -111.84 175.34 5.47 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.106 0.953 . . . . 0.0 110.409 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -139.28 168.61 19.45 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 37.4 mm -140.39 163.01 23.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 126.565 1.946 . . . . 0.0 106.428 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -132.91 153.47 51.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.559 0.618 . . . . 0.0 111.1 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.2 mt -140.11 138.89 37.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.55 -133.15 51.88 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -176.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -138.31 16.85 2.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.198 0.599 . . . . 0.0 110.224 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -141.33 6.92 1.94 Allowed 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.732 0.813 . . . . 0.0 111.75 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.17 145.66 35.05 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 CA-C-N 118.918 0.781 . . . . 0.0 110.351 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 20.2 m -139.77 155.7 47.16 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.9 mm -136.36 148.08 27.48 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.3 m -144.14 131.16 20.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -81.99 97.41 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -72.52 -28.58 62.96 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -171.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.6 177.76 42.22 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 121.748 -0.263 . . . . 0.0 112.844 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 p -142.01 139.76 30.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.454 0.701 . . . . 0.0 110.509 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.5 m -151.08 118.36 5.98 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.83 -144.48 34.67 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -173.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -79.36 -4.97 53.47 Favored 'General case' 0 N--CA 1.458 -0.069 0 CA-C-N 117.359 0.579 . . . . 0.0 111.856 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -88.29 143.44 27.03 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.339 0.59 . . . . 0.0 109.679 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 34.9 t -133.93 121.28 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.574 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -87.09 127.18 35.13 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -132.63 152.55 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -172.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.09 154.86 17.2 Favored Glycine 0 C--N 1.335 0.506 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.5 mt -138.29 136.7 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -137.24 103.05 4.99 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -172.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.68 161.66 28.94 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 123.765 0.826 . . . . 0.0 109.721 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -66.82 154.7 73.63 Favored 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.113 2.542 . . . . 0.0 110.238 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -67.32 -0.2 3.37 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 122.016 -0.427 . . . . 0.0 110.395 173.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -66.57 -10.8 48.97 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.472 1.109 . . . . 0.0 110.454 173.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -137.16 169.1 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.557 1.143 . . . . 0.0 108.274 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.15 156.01 34.57 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.535 0.207 . . . . 0.0 110.955 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.3 133.99 19.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -154.06 159.91 41.76 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.388 0.613 . . . . 0.0 111.541 176.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -61.17 144.87 52.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.22 -23.94 62.73 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -172.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.23 -23.07 47.56 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.823 -0.548 . . . . 0.0 111.542 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.9 -28.75 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.194 0.598 . . . . 0.0 109.443 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 79.0 t80 -63.83 -36.63 84.53 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.426 1.091 . . . . 0.0 111.527 -176.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -70.44 -15.72 62.86 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -80.88 -9.93 59.77 Favored 'General case' 0 CA--C 1.523 -0.089 0 C-N-CA 122.822 0.449 . . . . 0.0 110.054 175.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 90.2 mt -110.59 -42.67 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 123.173 0.589 . . . . 0.0 110.79 -174.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 68.8 mm-40 -69.07 1.12 3.8 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 121.987 -0.446 . . . . 0.0 111.666 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.13 -16.75 63.83 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.004 0.522 . . . . 0.0 111.617 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.89 15.09 0.08 OUTLIER Glycine 0 CA--C 1.527 0.816 0 CA-C-O 119.0 -0.889 . . . . 0.0 114.288 176.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -155.11 -176.83 6.14 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.021 1.411 . . . . 0.0 112.431 -171.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 24.7 p -147.94 0.88 0.65 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.034 0.934 . . . . 0.0 111.213 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.32 72.0 5.02 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 122.767 0.427 . . . . 0.0 110.868 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.4 171.85 0.37 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 124.012 3.141 . . . . 0.0 114.108 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 28.8 t70 . . . . . 0 CA--C 1.531 0.228 0 C-N-CA 123.816 0.846 . . . . 0.0 111.901 -179.869 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.466 HO2' " H5'" ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.157 -3.543 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.466 " H5'" HO2' ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.226 -3.474 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.457 " H5'" HO2' ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.308 -3.392 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 O4'-C1'-N19 111.348 3.148 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.154 -3.546 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 C4'-C3'-C2' 99.119 -3.581 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.763 -2.937 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 0 C4'-C3'-C2' 99.803 -2.897 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 O4'-C1'-N19 111.257 3.057 . 0.277 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C5'-C4'-C3' 109.825 -3.784 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . 0.419 " H2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.952 1 C3'-C2'-C1' 105.163 4.069 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 C5'-C4'-C3' 111.676 -2.55 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 1 C5'-C4'-C3' 104.78 -7.147 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 1 P-O3'-C3' 125.828 5.106 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 C4'-C3'-C2' 99.137 -3.563 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.619 HO2' " H5'" ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 98.868 -3.832 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . 0.619 " H5'" HO2' ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.223 -3.477 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.424 HO2' " H5'" ' D' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C4'-C3'-C2' 99.836 -2.864 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.446 HO2' " H5'" ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 99.373 -3.327 . 0.85 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.507 HO2' " H5'" ' D' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.429 -3.271 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . 0.507 " H5'" HO2' ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 O4'-C1'-N19 111.197 2.997 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HE1' ' HA3' ' C' ' 33' ' ' GLY . 1.6 mmm . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 119.92 -0.086 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -128.91 112.93 14.61 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.06 149.84 10.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 124.392 1.077 . . . . 0.0 110.124 -171.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt -149.47 177.92 9.27 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 124.117 0.967 . . . . 0.0 111.161 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -127.35 120.03 27.59 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 167.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 9.4 mmp_? -117.19 164.0 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.082 172.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -110.8 152.99 25.99 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.1 m -56.79 116.63 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.203 0.525 . . . . 0.0 110.146 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.18 -17.71 19.17 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.805 0.717 . . . . 0.0 112.186 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -79.51 174.34 11.68 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 117.6 0.7 . . . . 0.0 111.063 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.5 m -139.02 165.47 27.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.255 0.55 . . . . 0.0 111.512 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mm -143.29 161.09 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.966 1.706 . . . . 0.0 107.156 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -135.37 155.76 50.06 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.381 0.61 . . . . 0.0 111.354 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.3 mt -141.04 147.7 22.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 114.481 -1.236 . . . . 0.0 108.786 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.7 -136.49 47.32 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -133.16 12.32 4.24 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -146.28 11.54 1.17 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.557 0.743 . . . . 0.0 112.132 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.96 146.19 34.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 119.026 0.83 . . . . 0.0 110.681 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.8 m -139.8 155.52 47.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.161 0.985 . . . . 0.0 108.352 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -137.09 148.59 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -177.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -143.44 129.73 19.87 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -83.97 100.52 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -74.6 -26.89 60.21 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -171.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.96 -176.84 39.93 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.638 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.93 162.25 36.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 121.062 0.458 . . . . 0.0 110.866 177.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -150.97 68.78 0.95 Allowed 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.37 -135.88 22.89 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.65 -16.29 63.59 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 118.677 -0.678 . . . . 0.0 110.536 177.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.423 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 3.3 tp-100 -82.76 147.73 28.25 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 118.802 0.728 . . . . 0.0 109.301 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -141.19 121.53 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -91.56 130.35 37.39 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -134.08 155.26 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -172.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.65 156.45 20.56 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.199 -1.16 . . . . 0.0 110.199 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' C' ' 1' ' ' MET . 72.2 mt -135.57 144.53 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -178.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -139.84 107.75 5.69 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.38 161.8 28.3 Favored Pre-proline 0 N--CA 1.452 -0.351 0 C-N-CA 123.651 0.78 . . . . 0.0 108.997 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.88 154.27 74.63 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.794 2.329 . . . . 0.0 110.129 174.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -68.94 0.19 4.78 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 121.971 -0.456 . . . . 0.0 109.86 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.32 -9.95 38.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.371 1.069 . . . . 0.0 110.625 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -136.1 169.55 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.513 1.125 . . . . 0.0 108.787 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.27 154.64 31.94 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.273 -0.267 . . . . 0.0 110.863 -176.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -144.86 132.95 16.99 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -156.58 160.84 39.82 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.793 0.33 . . . . 0.0 110.472 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -64.01 149.65 46.96 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 170.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -58.25 -23.68 56.85 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.79 -32.96 70.22 Favored 'General case' 0 N--CA 1.457 -0.095 0 O-C-N 121.978 -0.451 . . . . 0.0 111.114 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -90.33 -34.63 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 C-N-CA 122.723 0.409 . . . . 0.0 109.958 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.438 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 85.6 t80 -54.15 -36.69 63.59 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.858 0.863 . . . . 0.0 111.874 -176.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -60.85 -15.31 28.98 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -176.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -83.83 -40.85 18.17 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.66 -16.38 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.938 0.895 . . . . 0.0 109.923 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.438 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 57.2 mm-40 -103.42 3.45 35.06 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 177.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -137.95 -4.95 1.72 Allowed 'General case' 0 C--N 1.342 0.27 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -174.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.32 -10.8 0.03 OUTLIER Glycine 0 CA--C 1.526 0.76 0 CA-C-N 119.392 0.997 . . . . 0.0 112.856 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' N ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 72.93 166.63 0.3 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.825 1.65 . . . . 0.0 111.658 169.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.6 p -142.22 8.77 1.84 Allowed 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.392 0.677 . . . . 0.0 111.142 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.08 60.37 4.28 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 122.765 0.426 . . . . 0.0 111.667 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -46.57 -32.54 11.73 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 124.181 3.254 . . . . 0.0 114.196 177.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t0 . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -174.643 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 C4'-C3'-C2' 99.348 -3.352 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.5 HO2' " H5'" ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 C4'-C3'-C2' 99.182 -3.518 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . 0.5 " H5'" HO2' ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.306 -3.394 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . 0.474 " H5'" HO2' ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 C4'-C3'-C2' 99.105 -3.595 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.412 " H5'" HO2' ' B' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.137 -3.563 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . 0.545 HO2' " H5'" ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.969 0 O4'-C1'-N19 110.901 2.701 . 0.585 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.545 " H5'" HO2' ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 O4'-C1'-N19 111.36 3.16 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . 0.524 " H5'" HO2' ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 C4'-C3'-C2' 99.463 -3.237 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C5'-C4'-C3' 110.811 -3.126 . 0.297 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C5'-C4'-C3' 110.174 -3.551 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O4'-C1'-N19 110.792 2.592 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . 0.541 " C2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C3'-C2'-C1' 104.599 3.443 . 0.498 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . 0.551 " H4'" " C5'" ' B' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.452 2 O5'-C5'-C4' 118.273 5.766 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . 0.551 " C5'" " H4'" ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.024 1 P-O3'-C3' 125.15 4.541 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . 0.557 HO2' " H5'" ' B' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.25 -3.45 . 0.809 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . 0.557 " H5'" HO2' ' B' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.618 1 C4'-C3'-C2' 98.509 -4.191 . 0.673 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.265 -3.435 . 0.557 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.432 HO2' " H5'" ' B' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C4'-C3'-C2' 99.901 -2.799 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.432 " H5'" HO2' ' B' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.42 -3.28 . 0.867 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.503 HO2' " H5'" ' B' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 C4'-C3'-C2' 99.524 -3.176 . 0.82 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . 0.503 " H5'" HO2' ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.909 -2.791 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.415 ' HG3' ' N ' ' C' ' 2' ' ' LEU . 13.7 tpp . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 120.439 0.161 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.2 tm? -126.83 106.77 9.57 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 171.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -100.6 142.28 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 124.114 0.966 . . . . 0.0 110.428 -175.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.59 170.05 20.52 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.19 0.596 . . . . 0.0 110.706 175.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -105.59 157.99 17.01 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.266 0.555 . . . . 0.0 111.838 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -147.95 164.17 34.57 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.724 1.21 . . . . 0.0 108.004 174.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 39.1 mtmt -121.87 161.31 23.0 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 118.504 0.593 . . . . 0.0 110.196 174.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.41 HG13 HG13 ' C' ' 25' ' ' VAL . 35.0 m -51.94 133.29 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.335 -176.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.23 4.98 66.03 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 119.414 -0.659 . . . . 0.0 113.301 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -114.12 -177.86 3.23 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.432 1.116 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 20.0 m -139.16 171.56 14.12 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -171.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -144.43 166.56 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 126.635 1.974 . . . . 0.0 106.827 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -140.67 153.12 45.86 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.722 0.692 . . . . 0.0 112.452 -176.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -148.12 149.29 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.23 1.012 . . . . 0.0 110.093 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.69 14.72 5.42 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.652 1.12 . . . . 0.0 115.354 170.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 55.1 11.77 0.56 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -143.13 8.91 1.66 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.615 0.766 . . . . 0.0 110.543 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.37 148.63 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.1 m -136.92 149.61 47.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.1 mm -130.29 148.96 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -140.37 149.6 42.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -175.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -111.53 84.78 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.61 -23.5 67.28 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.154 -170.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.26 179.23 41.64 Favored Glycine 0 C--N 1.335 0.498 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . 0.41 HG13 HG13 ' C' ' 8' ' ' VAL . 11.6 p -132.38 144.97 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -147.2 66.58 1.14 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.1 0.96 . . . . 0.0 108.585 -174.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.18 -138.44 26.63 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.95 -10.05 35.56 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.162 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -102.2 148.09 25.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 119.235 0.925 . . . . 0.0 109.37 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.8 t -138.99 128.86 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -175.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -90.4 126.43 35.88 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -128.73 152.26 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.545 -169.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.421 ' HA3' ' HE1' ' A' ' 1' ' ' MET . . . -121.94 153.46 16.78 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -139.97 140.85 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -144.4 104.6 4.1 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.37 159.68 41.26 Favored Pre-proline 0 N--CA 1.453 -0.315 0 C-N-CA 124.118 0.967 . . . . 0.0 109.222 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -63.83 150.25 88.85 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 122.553 2.169 . . . . 0.0 110.131 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -68.7 -1.12 6.23 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.243 -0.285 . . . . 0.0 110.343 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -67.74 -8.13 32.97 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.018 0.927 . . . . 0.0 110.914 171.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -135.55 169.3 21.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 176.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.52 160.25 27.39 Favored 'General case' 0 N--CA 1.457 -0.083 0 O-C-N 122.045 -0.41 . . . . 0.0 111.133 -173.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 m -144.02 134.39 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -157.15 168.24 28.01 Favored 'General case' 0 N--CA 1.46 0.061 0 CA-C-N 117.836 0.289 . . . . 0.0 110.437 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -67.02 154.4 41.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 172.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -56.54 -23.97 43.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.271 0.628 . . . . 0.0 111.994 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.26 -47.45 23.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.635 0.255 . . . . 0.0 110.753 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 mm -71.02 -30.59 41.97 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.073 0 O-C-N 122.016 -0.428 . . . . 0.0 109.968 -176.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.449 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 83.1 t80 -59.16 -34.95 72.69 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.17 0.988 . . . . 0.0 112.008 -176.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -71.54 -16.76 62.33 Favored 'General case' 0 CA--C 1.528 0.132 0 O-C-N 122.081 -0.387 . . . . 0.0 111.953 -177.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -85.76 -7.52 58.71 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 122.88 0.472 . . . . 0.0 110.161 175.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 92.2 mt -110.63 -42.08 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 122.563 0.345 . . . . 0.0 110.884 -173.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.449 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 80.5 mm-40 -70.94 2.1 4.77 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.745 -0.597 . . . . 0.0 111.76 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.4 -16.03 63.77 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.944 0.498 . . . . 0.0 112.156 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.13 15.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 CA-C-O 119.364 -0.687 . . . . 0.0 113.973 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -153.49 -171.14 3.81 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.656 1.228 . . . . 0.0 111.443 -173.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 32.0 m -146.42 127.14 14.31 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 122.399 0.279 . . . . 0.0 110.668 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 22.03 65.59 0.32 Allowed Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 126.407 1.883 . . . . 0.0 114.836 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.62 172.81 0.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.828 3.019 . . . . 0.0 113.825 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.508 176.946 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.437 HO2' " H5'" ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.915 -2.785 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.506 HO2' " H5'" ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.192 -3.508 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.506 " H5'" HO2' ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 99.331 -3.369 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.505 " H5'" HO2' ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C4'-C3'-C2' 99.42 -3.28 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.464 " H5'" HO2' ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 C4'-C3'-C2' 98.99 -3.71 . 0.757 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 98.883 -3.817 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.639 HO2' " H5'" ' D' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.497 0 O4'-C1'-N19 111.436 3.236 . 0.634 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . 0.639 " H5'" HO2' ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 C4'-C3'-C2' 100.043 -2.657 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.537 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.671 1 C5'-C4'-C3' 109.111 -4.259 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.537 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C5'-C4'-C3' 111.424 -2.717 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 0 O4'-C1'-N19 110.811 2.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 0 C5'-C4'-C3' 111.17 -2.886 . 0.15 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.887 1 C5'-C4'-C3' 108.717 -4.522 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.523 0 C5'-C4'-C3' 110.231 -3.513 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.539 -3.161 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.035 -3.665 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . 0.546 HO2' " H5'" ' D' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C4'-C3'-C2' 99.541 -3.159 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.546 " H5'" HO2' ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.771 -2.929 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.449 " H5'" HO2' ' D' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.532 -3.168 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.481 HO2' " H5'" ' D' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.475 -3.225 . 0.813 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . 0.481 " H5'" HO2' ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 100.177 -2.523 . 0.753 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HG2' ' CD1' ' A' ' 3' ' ' ILE . 16.0 tpp . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.189 0.042 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.405 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.1 tm? -127.41 104.92 8.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 171.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.428 ' CD1' ' HG2' ' A' ' 1' ' ' MET . 4.7 mp -96.35 151.15 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.465 1.106 . . . . 0.0 110.172 -174.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.2 mt -149.82 175.34 11.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.065 0.946 . . . . 0.0 111.612 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -127.35 122.02 32.57 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 168.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -122.31 140.99 52.0 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -84.98 151.82 23.92 Favored 'General case' 0 CA--C 1.522 -0.104 0 C-N-CA 122.84 0.456 . . . . 0.0 110.142 176.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.1 m -56.55 125.72 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.82 3.7 45.85 Favored Glycine 0 CA--C 1.531 1.054 0 CA-C-O 119.46 -0.633 . . . . 0.0 113.351 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -116.12 -176.51 2.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.364 1.082 . . . . 0.0 110.985 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.9 m -138.76 170.66 15.59 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -172.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.0 mm -144.02 166.63 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.92 2.088 . . . . 0.0 106.955 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -135.49 153.8 51.62 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 119.071 0.851 . . . . 0.0 112.062 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -140.34 143.38 29.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.295 1.038 . . . . 0.0 108.718 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.95 -137.29 44.24 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -175.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -135.12 15.68 3.51 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -142.73 9.34 1.76 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.493 0.717 . . . . 0.0 111.535 -177.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.52 147.39 32.69 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 CA-C-N 118.628 0.649 . . . . 0.0 109.914 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -139.29 155.24 47.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.9 mm -133.3 148.89 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 m -141.72 149.12 40.09 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.98 84.91 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.668 1.187 . . . . 0.0 107.841 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.75 -24.46 67.57 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 -169.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.94 -174.41 44.1 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 120.336 -0.935 . . . . 0.0 113.267 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.6 p -147.19 137.26 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.489 0.716 . . . . 0.0 110.173 -174.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.7 m -151.65 110.64 3.88 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 124.095 0.958 . . . . 0.0 108.562 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.18 -142.2 36.21 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -173.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.418 HE21 HG22 ' C' ' 8' ' ' VAL . 11.6 mm100 -72.44 -12.93 61.31 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.103 0.952 . . . . 0.0 110.905 175.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.56 153.78 38.89 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.452 0.644 . . . . 0.0 110.088 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -149.22 117.68 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -84.42 133.95 34.48 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -132.78 155.01 40.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -170.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.41 149.82 18.38 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' C' ' 1' ' ' MET . 72.9 mt -137.86 144.18 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -144.29 104.31 4.08 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -174.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.29 160.75 30.56 Favored Pre-proline 0 N--CA 1.451 -0.402 0 C-N-CA 123.604 0.762 . . . . 0.0 109.834 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -66.57 157.03 62.75 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.392 2.728 . . . . 0.0 110.398 174.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HE3' ' C5 ' ' D' ' 65' ' ' ' G' . 14.2 mmmm -67.95 -0.13 4.06 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.014 0.435 . . . . 0.0 110.404 173.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.52 -9.2 32.37 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.269 1.028 . . . . 0.0 110.205 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -137.88 169.29 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.03 156.37 36.63 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 122.11 -0.369 . . . . 0.0 110.756 -174.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.76 129.12 10.48 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -155.37 160.78 40.97 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 122.142 -0.348 . . . . 0.0 111.155 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.6 tpt85 -57.43 145.31 33.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 171.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -58.22 -32.0 67.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.063 0.392 . . . . 0.0 111.658 -176.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -71.93 -38.77 69.8 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.256 -0.277 . . . . 0.0 110.748 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.47 -31.73 43.93 Favored 'Isoleucine or valine' 0 C--O 1.23 0.079 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.487 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 76.6 t80 -59.25 -36.72 76.01 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.232 0.613 . . . . 0.0 111.045 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.43 -16.48 63.5 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.946 0.339 . . . . 0.0 111.844 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -86.47 -10.12 54.83 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 123.072 0.549 . . . . 0.0 110.085 177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.6 mt -110.51 -33.17 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.305 0.642 . . . . 0.0 110.681 -174.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.487 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 61.4 mm-40 -82.71 3.07 30.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.038 -0.414 . . . . 0.0 111.198 176.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.29 -18.52 63.68 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.078 0.551 . . . . 0.0 112.413 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.62 21.3 0.11 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-O 118.955 -0.914 . . . . 0.0 114.008 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.15 -26.3 0.44 Allowed 'General case' 0 C--N 1.34 0.176 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -172.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.7 m 33.56 43.18 0.05 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.133 0.973 . . . . 0.0 112.553 -172.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.97 79.52 8.42 Favored Pre-proline 0 N--CA 1.454 -0.231 0 C-N-CA 123.846 0.858 . . . . 0.0 109.372 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.47 -40.94 18.14 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 124.391 3.394 . . . . 0.0 114.345 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -177.785 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.486 HO2' " H5'" ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.365 -3.335 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.49 HO2' " H5'" ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 C4'-C3'-C2' 99.199 -3.501 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . 0.493 HO2' " H5'" ' B' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.497 0 C4'-C3'-C2' 99.364 -3.336 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . 0.493 " H5'" HO2' ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.191 -3.509 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.625 HO2' " H5'" ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 C4'-C3'-C2' 98.928 -3.772 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . 0.625 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 C4'-C3'-C2' 99.727 -2.973 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.585 " H5'" HO2' ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.771 -2.929 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . 0.447 HO2' " H5'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.377 0 C4'-C3'-C2' 99.358 -3.342 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.598 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C5'-C4'-C3' 111.212 -2.859 . 0.632 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.598 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 99.346 -3.354 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C3'-C2'-C1' 103.956 2.729 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . 0.414 ' C8 ' HD11 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 C5'-C4'-C3' 110.714 -3.191 . 0.122 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 1 C5'-C4'-C3' 105.717 -6.522 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . 0.414 HO2' " H5'" ' B' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.002 1 P-O3'-C3' 125.605 4.921 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . 0.414 " H5'" HO2' ' B' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.385 -3.315 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 98.818 -3.882 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 99.318 -3.382 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C4'-C3'-C2' 99.958 -2.742 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.463 HO2' " H5'" ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 99.572 -3.128 . 0.85 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.463 " H5'" HO2' ' B' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.439 -3.261 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 110.867 2.667 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.34 118.12 16.14 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -110.53 149.32 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.368 0.667 . . . . 0.0 109.541 -171.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -150.65 177.98 9.53 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 123.258 0.623 . . . . 0.0 111.518 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.68 125.44 33.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 167.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.488 HH21 HG22 ' C' ' 22' ' ' ILE . 4.6 ttp180 -131.94 174.76 9.83 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.52 171.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -140.99 167.0 23.24 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.961 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.418 HG22 HE21 ' A' ' 28' ' ' GLN . 7.9 m -51.9 135.83 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 O-C-N 123.82 0.7 . . . . 0.0 112.464 -168.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.24 -5.2 74.83 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.351 -0.694 . . . . 0.0 113.701 176.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -96.91 177.36 5.65 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.387 1.093 . . . . 0.0 111.533 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -143.5 166.61 24.33 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 17.0 mt -143.16 162.83 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 126.261 1.824 . . . . 0.0 108.37 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -127.26 149.34 50.05 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.045 0.384 . . . . 0.0 110.712 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -145.14 144.59 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 123.236 0.615 . . . . 0.0 110.413 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.4 12.95 6.68 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 124.177 0.894 . . . . 0.0 114.513 172.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t70 55.62 12.72 0.85 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.294 1.038 . . . . 0.0 113.39 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -142.18 6.71 1.75 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.388 0.675 . . . . 0.0 110.619 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.5 148.45 30.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -138.54 153.22 48.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -132.65 144.07 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -176.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -135.73 148.0 48.67 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.488 HG22 HH21 ' C' ' 6' ' ' ARG . 1.6 tp -106.18 89.59 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 -178.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.1 -23.48 65.84 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.241 -167.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.77 179.43 36.43 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.939 -0.465 . . . . 0.0 111.939 175.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -121.71 162.8 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-O 121.371 0.605 . . . . 0.0 110.652 175.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -151.53 59.93 0.88 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.501 1.12 . . . . 0.0 108.067 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.42 -134.55 19.6 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.52 -11.1 40.55 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.077 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -100.25 147.62 25.55 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.068 0.849 . . . . 0.0 109.123 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -137.33 130.65 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -94.36 126.85 39.87 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -133.16 154.72 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -171.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.1 154.99 20.53 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.8 mt -136.7 144.98 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -141.57 109.74 5.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.2 160.63 31.64 Favored Pre-proline 0 N--CA 1.454 -0.245 0 C-N-CA 123.604 0.762 . . . . 0.0 109.537 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.05 154.38 74.75 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.115 2.543 . . . . 0.0 110.521 173.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.57 -0.55 3.96 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-O 120.887 0.375 . . . . 0.0 110.623 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.49 -11.7 53.76 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.378 1.071 . . . . 0.0 110.119 173.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.69 169.47 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.682 1.193 . . . . 0.0 108.36 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.21 160.68 23.34 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 122.317 -0.24 . . . . 0.0 111.537 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -147.83 132.61 10.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 176.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -152.83 164.08 38.52 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-O 120.917 0.389 . . . . 0.0 111.225 176.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -62.48 148.38 45.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 170.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -60.29 -31.88 70.67 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.027 0.376 . . . . 0.0 110.737 -176.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.09 -42.56 80.17 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.09 0.556 . . . . 0.0 110.413 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.36 -38.2 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 C-N-CA 122.868 0.467 . . . . 0.0 109.9 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.448 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 91.2 t80 -53.02 -36.31 60.39 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.11 0.964 . . . . 0.0 111.715 -175.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -61.19 -14.49 25.68 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -86.09 -43.28 13.21 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 118.612 0.642 . . . . 0.0 109.468 175.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp -66.58 -16.45 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 123.524 0.729 . . . . 0.0 110.366 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 75.3 mm-40 -104.27 3.13 32.31 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 176.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.72 -3.79 1.45 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -175.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.48 -8.97 0.03 OUTLIER Glycine 0 CA--C 1.528 0.86 0 CA-C-N 119.232 0.924 . . . . 0.0 113.287 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' C' ' 55' ' ' LEU . 0.1 OUTLIER 69.33 179.51 0.24 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.039 1.336 . . . . 0.0 111.635 169.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 13.9 t -147.8 165.48 30.45 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.255 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 33.64 59.37 1.82 Allowed Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 124.974 1.31 . . . . 0.0 113.224 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -49.48 -30.94 22.39 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 123.892 3.061 . . . . 0.0 113.915 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 122.808 0.443 . . . . 0.0 110.087 -176.288 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.463 HO2' " H5'" ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C5'-C4'-C3' 111.245 -2.836 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.485 HO2' " H5'" ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C4'-C3'-C2' 99.312 -3.388 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.51 HO2' " H5'" ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.163 -3.537 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.51 " H5'" HO2' ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.601 -3.099 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.625 HO2' " H5'" ' D' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.558 1 C4'-C3'-C2' 98.562 -4.138 . 0.655 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . 0.625 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 O4'-C1'-N19 111.476 3.276 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.571 " H5'" HO2' ' D' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 111.425 3.225 . 0.572 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 O4'-C1'-N19 110.596 2.396 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.588 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C5'-C4'-C3' 109.953 -3.698 . 0.581 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.588 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 100.054 -2.646 . 0.033 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . 0.424 ' C5 ' ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C3'-C2'-C1' 104.218 3.02 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C5'-C4'-C3' 111.297 -2.802 . 0.03 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 C5'-C4'-C3' 104.997 -7.002 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 1 P-O3'-C3' 125.862 5.135 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . 0.523 HO2' " H5'" ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 98.801 -3.899 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.523 " H5'" HO2' ' D' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.522 1 C4'-C3'-C2' 98.617 -4.083 . 0.666 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . 0.556 HO2' " H5'" ' D' ' 72' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 C4'-C3'-C2' 99.299 -3.401 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.556 " H5'" HO2' ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.919 -2.781 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.473 HO2' " H5'" ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 99.426 -3.274 . 0.856 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.475 HO2' " H5'" ' D' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.503 -3.197 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . 0.475 " H5'" HO2' ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 O4'-C1'-N19 111.022 2.822 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 mmm . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 120.985 0.422 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -135.49 114.26 11.93 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 168.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.95 141.88 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.469 0.708 . . . . 0.0 110.008 -173.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -162.37 178.86 8.29 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.011 0.524 . . . . 0.0 110.802 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -115.07 157.56 23.35 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.292 0.568 . . . . 0.0 110.468 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -148.4 164.54 33.8 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -124.39 159.49 30.28 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.4 m -57.36 141.14 14.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.543 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.05 -9.18 78.47 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.363 0.506 . . . . 0.0 112.926 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -90.1 -176.13 4.77 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 118.035 0.918 . . . . 0.0 111.02 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -140.75 171.32 14.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.322 0.582 . . . . 0.0 112.065 -174.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mt -154.22 164.14 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.962 2.105 . . . . 0.0 107.184 -171.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -143.54 156.56 44.64 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.59 -0.694 . . . . 0.0 112.215 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -140.91 148.04 22.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 124.134 0.974 . . . . 0.0 108.6 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.24 -139.4 34.15 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -130.74 11.79 5.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.256 0.622 . . . . 0.0 109.96 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -144.07 11.81 1.58 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.516 0.726 . . . . 0.0 111.204 -177.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.66 147.16 33.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.727 0.694 . . . . 0.0 110.403 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.3 m -137.58 153.55 49.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.391 1.076 . . . . 0.0 108.153 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.9 mm -136.89 148.13 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -138.87 148.44 43.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -107.96 86.73 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.41 HD11 " H1'" ' D' ' 67' ' ' ' C' . 18.7 mt -66.29 -24.35 66.54 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.624 -169.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.14 -175.81 38.59 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 118.369 0.531 . . . . 0.0 112.732 175.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.8 m -131.85 165.99 30.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.229 0.538 . . . . 0.0 111.118 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.0 m -151.04 64.37 0.91 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.796 1.239 . . . . 0.0 107.797 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.8 -113.48 3.74 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -81.51 -19.19 42.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.487 ' HG2' ' HE3' ' C' ' 7' ' ' LYS . 9.5 mm-40 -80.08 152.7 29.19 Favored 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 123.707 0.629 . . . . 0.0 110.237 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.2 t -145.81 119.49 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -89.33 128.14 35.86 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -128.3 154.94 39.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -171.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.15 154.35 20.52 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.934 -1.267 . . . . 0.0 109.934 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.3 mt -139.37 144.46 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -177.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -142.9 107.98 4.95 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.92 160.98 30.75 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 123.986 0.915 . . . . 0.0 108.881 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.69 153.84 75.5 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.687 2.258 . . . . 0.0 110.061 174.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -71.78 -0.88 12.18 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.914 -0.491 . . . . 0.0 110.48 176.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -68.66 -6.76 27.83 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.998 0.919 . . . . 0.0 110.35 171.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -135.94 167.49 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.8 158.8 32.48 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.315 -0.241 . . . . 0.0 110.96 -174.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.0 m -144.91 129.84 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -177.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -157.68 160.99 38.55 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.871 -0.518 . . . . 0.0 110.12 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -63.62 156.83 25.52 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.41 -24.05 66.25 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -71.88 -51.81 20.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.766 -0.584 . . . . 0.0 109.876 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.85 -28.97 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 122.868 0.467 . . . . 0.0 109.951 -176.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.421 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 69.7 t80 -64.12 -39.3 93.74 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 122.884 0.473 . . . . 0.0 111.07 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -71.55 -16.32 62.32 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -82.63 -9.78 59.23 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 122.956 0.502 . . . . 0.0 110.261 174.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.3 mt -110.21 -43.95 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 122.687 0.395 . . . . 0.0 110.618 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.421 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 62.3 mm-40 -67.9 -0.45 4.3 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.98 -0.45 . . . . 0.0 111.534 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.54 -16.27 63.52 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.34 0.656 . . . . 0.0 111.472 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.45 15.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.053 -0.859 . . . . 0.0 114.413 176.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -153.91 -176.36 5.81 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.746 1.273 . . . . 0.0 112.758 -172.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.2 p -144.21 8.9 1.43 Allowed 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 124.607 1.163 . . . . 0.0 110.65 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.23 125.12 4.38 Favored Pre-proline 0 N--CA 1.451 -0.393 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -49.01 -33.58 26.72 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 124.259 3.306 . . . . 0.0 114.196 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -175.031 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.746 -2.954 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C4'-C3'-C2' 99.413 -3.287 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.52 -3.18 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 O4'-C1'-N19 111.378 3.178 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.601 HO2' " H5'" ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.639 1 C4'-C3'-C2' 98.68 -4.02 . 0.766 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . 0.601 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.499 -3.201 . 0.654 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.556 HO2' " H5'" ' B' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 O4'-C1'-N19 111.29 3.09 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . 0.556 " H5'" HO2' ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.855 -2.845 . 0.632 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.661 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 O4'-C1'-N19 111.874 3.674 . 0.375 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.661 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.331 -3.369 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . 0.469 HO2' ' HD3' ' C' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 N19-C1'-C2' 108.569 -3.019 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.352 0 C5'-C4'-C3' 111.806 -2.463 . 0.124 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 C5'-C4'-C3' 105.052 -6.965 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . 0.447 HO2' " H5'" ' B' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.824 1 P-O3'-C3' 125.544 4.87 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . 0.556 HO2' " H5'" ' B' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.382 -3.318 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . 0.556 " H5'" HO2' ' B' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C4'-C3'-C2' 98.961 -3.739 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.458 -3.242 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.426 HO2' " H5'" ' B' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C4'-C3'-C2' 99.894 -2.806 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.461 HO2' " H5'" ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.723 -2.977 . 0.874 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.461 " H5'" HO2' ' B' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.674 -3.026 . 0.787 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 C4'-C3'-C2' 99.89 -2.81 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.475 ' CE ' ' C6 ' ' D' ' 67' ' ' ' C' . 1.7 ttp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.697 0.284 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.1 tm? -116.1 119.8 37.01 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 176.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.502 ' CD1' " H4'" ' D' ' 67' ' ' ' C' . 4.5 mp -115.32 142.2 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.046 0.938 . . . . 0.0 109.8 -173.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -161.1 169.65 21.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.192 174.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.2 p -98.31 153.36 18.59 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.384 0.611 . . . . 0.0 110.009 177.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.547 HH22 ' HB ' ' C' ' 22' ' ' ILE . 7.4 mmm-85 -147.29 155.95 42.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.268 1.427 . . . . 0.0 107.551 178.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.487 ' HE3' ' HG2' ' A' ' 29' ' ' GLN . 59.9 mttp -123.01 162.62 22.0 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.385 0.612 . . . . 0.0 111.399 175.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.488 ' HA ' ' CG2' ' C' ' 22' ' ' ILE . 15.5 m -51.16 114.53 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 114.611 -1.177 . . . . 0.0 112.05 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . 0.485 ' H ' HG23 ' C' ' 22' ' ' ILE . . . 111.52 -24.11 16.28 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.349 0.5 . . . . 0.0 113.376 173.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . 0.498 ' HB2' HH21 ' C' ' 6' ' ' ARG . 92.5 mt-10 -73.43 -175.75 2.05 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 117.542 0.671 . . . . 0.0 110.806 177.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -143.98 176.09 9.54 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -174.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.546 ' CG1' HH11 ' C' ' 6' ' ' ARG . 4.9 mt -149.62 169.84 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 126.149 1.78 . . . . 0.0 107.889 -176.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . 0.478 ' H ' HG23 ' C' ' 12' ' ' ILE . 23.8 m120 -142.98 151.34 40.78 Favored 'General case' 0 C--N 1.337 0.048 0 C-N-CA 123.138 0.575 . . . . 0.0 110.595 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -147.78 146.02 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.177 0.591 . . . . 0.0 109.954 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.75 14.82 7.91 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.989 0.804 . . . . 0.0 114.864 171.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 56.75 10.92 0.8 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -139.29 7.22 2.38 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.57 0.623 . . . . 0.0 110.474 175.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.23 146.74 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 62.2 m -135.09 146.93 49.36 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -131.33 148.91 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.0 m -140.75 149.34 41.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.547 ' HB ' HH22 ' C' ' 6' ' ' ARG . 0.4 OUTLIER -112.28 118.67 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -92.06 -22.09 20.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.242 -168.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.64 -175.35 39.86 Favored Glycine 0 C--N 1.337 0.634 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.669 172.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.84 139.84 33.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 122.955 0.502 . . . . 0.0 110.904 -175.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.2 m -151.3 113.98 4.66 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.92 -142.65 34.49 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -172.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -78.69 -6.38 55.61 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 117.812 0.806 . . . . 0.0 111.733 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.49 151.87 32.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -146.78 119.64 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -176.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -89.05 136.06 33.22 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -135.65 152.59 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.148 0.579 . . . . 0.0 109.833 -170.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.23 148.97 17.4 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.051 -1.619 . . . . 0.0 109.051 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.4 mt -138.81 144.4 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -144.35 104.46 4.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.6 158.89 39.64 Favored Pre-proline 0 C--O 1.233 0.234 0 C-N-CA 123.717 0.807 . . . . 0.0 109.655 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.0 153.68 77.12 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.008 2.472 . . . . 0.0 110.686 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . 0.469 ' HD3' HO2' ' B' ' 65' ' ' ' G' . 3.5 mmmp? -70.17 -1.58 10.59 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.947 -0.471 . . . . 0.0 110.851 176.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -68.58 -8.57 42.9 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.945 0.898 . . . . 0.0 110.436 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -137.72 169.22 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 176.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.7 159.88 24.44 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.821 -0.55 . . . . 0.0 111.104 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.0 m -146.03 130.24 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -158.78 163.2 36.95 Favored 'General case' 0 CA--C 1.522 -0.098 0 O-C-N 122.125 -0.359 . . . . 0.0 110.575 175.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -65.72 158.1 28.39 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 168.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.54 -23.64 58.77 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -174.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -66.29 -48.07 71.57 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.149 -0.344 . . . . 0.0 111.069 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.4 mm -79.87 -26.81 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -174.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -59.61 -27.55 66.41 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.739 0.416 . . . . 0.0 111.341 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -70.92 -13.06 61.88 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 122.004 -0.435 . . . . 0.0 112.059 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -82.17 -9.39 59.53 Favored 'General case' 0 C--O 1.225 -0.209 0 O-C-N 121.935 -0.478 . . . . 0.0 109.908 177.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -110.87 -12.69 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.081 0.953 . . . . 0.0 108.878 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -115.12 -14.14 11.79 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.261 0.625 . . . . 0.0 112.636 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -141.06 -2.11 1.32 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -141.17 -3.99 1.15 Allowed Glycine 0 CA--C 1.528 0.865 0 CA-C-N 118.47 0.577 . . . . 0.0 112.198 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 30.49 55.85 0.19 Allowed 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 126.637 1.975 . . . . 0.0 113.663 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 72.2 p -68.19 -3.96 12.34 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.147 -0.345 . . . . 0.0 111.339 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.3 74.7 9.77 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 124.558 1.143 . . . . 0.0 108.884 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.64 174.04 0.21 Allowed 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 124.998 3.798 . . . . 0.0 113.916 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 N--CA 1.453 -0.282 0 C-N-CA 123.459 0.704 . . . . 0.0 112.097 179.833 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.466 HO2' " H5'" ' D' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.928 -2.772 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . 0.466 " H5'" HO2' ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 99.348 -3.352 . 0.826 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.507 HO2' " H5'" ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.249 -3.451 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.507 " H5'" HO2' ' D' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.943 0 C4'-C3'-C2' 99.398 -3.302 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.444 " H5'" HO2' ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 98.987 -3.713 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . 0.514 HO2' " H5'" ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 C4'-C3'-C2' 99.622 -3.078 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.578 HO2' " H5'" ' D' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 O4'-C1'-N19 111.565 3.365 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . 0.578 " H5'" HO2' ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 O4'-C1'-N19 111.056 2.856 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.527 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.858 1 O4'-C1'-N19 112.351 4.151 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.527 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C4'-C3'-C2' 100.072 -2.628 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 110.725 2.525 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . 0.43 ' C6 ' " H1'" ' D' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C5'-C4'-C3' 111.799 -2.467 . 0.42 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . 0.502 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.065 0 C5'-C4'-C3' 111.011 -2.993 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . 0.501 HO2' " H5'" ' D' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.92 0 C4'-C3'-C2' 100.342 -2.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . 0.537 HO2' " H5'" ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 99.714 -2.986 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.591 HO2' " H5'" ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.078 -3.622 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . 0.591 " H5'" HO2' ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.2 -3.5 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.542 " H5'" HO2' ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.683 -3.017 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.498 HO2' " H5'" ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.563 -3.137 . 0.856 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.521 HO2' " H5'" ' D' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C4'-C3'-C2' 99.418 -3.282 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . 0.521 " H5'" HO2' ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 O4'-C1'-N19 111.01 2.81 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 mmm . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 120.707 0.289 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -135.6 114.18 11.77 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 167.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -105.9 150.5 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.524 0.73 . . . . 0.0 110.02 -172.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.93 163.75 39.2 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.882 0.873 . . . . 0.0 109.524 -171.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.82 145.04 50.4 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 6.0 mmp_? -145.73 150.41 36.2 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 123.387 0.675 . . . . 0.0 109.551 177.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -89.53 157.22 18.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.421 HG11 HG13 ' A' ' 25' ' ' VAL . 11.8 m -54.13 114.1 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.547 177.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.96 -14.23 24.02 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.595 -0.558 . . . . 0.0 112.852 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -83.15 177.31 8.63 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.192 0.996 . . . . 0.0 111.177 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 m -135.78 167.31 21.41 Favored 'General case' 0 C--N 1.342 0.239 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -171.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -145.28 160.84 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 126.582 1.953 . . . . 0.0 107.139 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -133.99 154.99 50.75 Favored 'General case' 0 C--O 1.23 0.031 0 CA-C-N 118.944 0.793 . . . . 0.0 111.798 -176.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.1 mt -141.24 142.03 29.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.158 -178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.97 -135.51 43.08 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -135.57 15.07 3.42 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.249 0.62 . . . . 0.0 109.74 176.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -143.17 8.45 1.63 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.972 0.509 . . . . 0.0 111.545 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -132.22 147.84 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 118.713 0.688 . . . . 0.0 110.673 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.2 m -139.43 155.51 47.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -134.93 149.07 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -143.26 155.4 44.49 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.15 88.57 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.0 mt -64.64 -23.5 67.28 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -167.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.52 -177.45 43.67 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 118.787 0.722 . . . . 0.0 112.279 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.421 HG13 HG11 ' A' ' 8' ' ' VAL . 13.8 p -137.43 145.64 29.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 C-N-CA 123.28 0.632 . . . . 0.0 109.672 -174.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -149.88 67.21 0.99 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.943 0.897 . . . . 0.0 108.832 -176.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.63 -136.22 22.94 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -65.72 -17.19 64.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.7 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -88.68 150.17 23.13 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 118.728 0.694 . . . . 0.0 109.458 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.8 t -143.23 129.34 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -89.86 131.09 35.97 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mt -129.83 155.15 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -170.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 150.8 18.02 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 -178.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.5 mt -140.03 143.08 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -144.18 105.85 4.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.852 0.358 . . . . 0.0 110.396 -175.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.02 159.58 33.48 Favored Pre-proline 0 N--CA 1.455 -0.215 0 C-N-CA 123.611 0.764 . . . . 0.0 109.2 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 39' ' ' ASP . 38.0 Cg_endo -66.01 153.29 78.7 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.953 2.435 . . . . 0.0 110.686 174.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -64.13 -0.8 1.29 Allowed 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.25 -0.281 . . . . 0.0 110.78 173.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 37' ' ' PRO . 27.4 t70 -66.62 -9.95 40.88 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.366 1.066 . . . . 0.0 110.311 173.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -137.8 169.05 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 124.342 1.057 . . . . 0.0 108.301 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.49 157.22 29.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.96 -0.463 . . . . 0.0 111.369 -175.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.8 m -146.95 135.76 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -152.59 163.82 38.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -59.44 141.9 53.61 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 169.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -59.78 -23.56 63.37 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.245 0.475 . . . . 0.0 111.943 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.11 -21.49 43.2 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.657 0.383 . . . . 0.0 110.757 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.77 -32.76 5.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 124.047 0.939 . . . . 0.0 109.739 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.446 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 81.7 t80 -59.37 -36.18 75.3 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.29 0.636 . . . . 0.0 111.477 -176.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -69.62 -15.53 63.21 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -85.21 -9.02 58.28 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.0 mt -110.83 -43.24 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 122.76 0.424 . . . . 0.0 110.736 -174.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.446 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 72.2 mm-40 -69.49 1.38 4.06 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.47 -17.71 64.95 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.916 0.486 . . . . 0.0 111.739 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.95 16.63 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 CA-C-O 118.717 -1.046 . . . . 0.0 114.093 177.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -154.56 -176.58 5.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.174 1.487 . . . . 0.0 112.528 -172.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.6 p -144.43 5.84 1.25 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.937 0.895 . . . . 0.0 110.867 174.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.56 125.68 3.85 Favored Pre-proline 0 N--CA 1.452 -0.352 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.07 171.5 0.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 124.373 3.382 . . . . 0.0 113.656 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.53 0.195 0 C-N-CA 123.639 0.776 . . . . 0.0 112.336 -178.511 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.427 HO2' " H5'" ' B' ' 56' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 100.01 -2.69 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ' G' . . . . . 0.427 " H5'" HO2' ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 99.355 -3.345 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ' G' . . . . . 0.474 HO2' " H5'" ' B' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 99.138 -3.562 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ' U' . . . . . 0.474 " H5'" HO2' ' B' ' 57' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C1'-N19 111.442 3.242 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.422 " H5'" HO2' ' B' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 C4'-C3'-C2' 98.995 -3.705 . 0.753 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ' A' . . . . . 0.602 HO2' " H5'" ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C4'-C3'-C2' 99.822 -2.878 . 0.564 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ' U' . . . . . 0.602 " H5'" HO2' ' B' ' 60' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.162 2.962 . 0.598 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . 0.593 " H5'" HO2' ' B' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 O4'-C1'-N19 110.763 2.563 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ' A' . . . . . 0.487 HO2' " C5'" ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C5'-C4'-C3' 109.557 -3.962 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . 0.487 " C5'" HO2' ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 C4'-C3'-C2' 100.205 -2.495 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 O4'-C1'-N19 110.578 2.378 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-C3' 111.261 -2.826 . 0.127 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . 0.428 ' C2 ' HD21 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.622 1 C5'-C4'-C3' 105.097 -6.935 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . 0.435 HO2' " H5'" ' B' ' 69' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.01 1 P-O3'-C3' 126.129 5.358 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . 0.435 " H5'" HO2' ' B' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-C2' 99.59 -3.11 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 C4'-C3'-C2' 98.732 -3.968 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.366 -3.334 . 0.552 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ' A' . . . . . 0.406 HO2' " H5'" ' B' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.529 -3.171 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ' C' . . . . . 0.465 HO2' " H5'" ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.445 0 C4'-C3'-C2' 99.429 -3.271 . 0.856 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ' C' . . . . . 0.496 HO2' " H5'" ' B' ' 75' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.419 -3.281 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ' C' . . . . . 0.496 " H5'" HO2' ' B' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 C4'-C3'-C2' 99.947 -2.753 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmm . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 119.858 -0.115 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -130.93 112.51 13.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.4 HD12 " H5'" ' D' ' 67' ' ' ' C' . 4.4 mp -106.81 148.51 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.249 1.019 . . . . 0.0 108.967 -171.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -149.63 179.16 8.21 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.407 0.683 . . . . 0.0 110.828 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -133.13 124.88 28.33 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 167.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.74 164.64 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.248 1.019 . . . . 0.0 108.501 171.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -110.92 157.32 20.01 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.751 0.31 . . . . 0.0 110.698 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.423 HG11 HG13 ' C' ' 25' ' ' VAL . 17.0 m -53.2 114.56 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.026 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.88 -16.23 16.07 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 123.983 0.802 . . . . 0.0 111.943 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -84.63 179.14 7.44 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.791 0.795 . . . . 0.0 111.2 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -141.26 170.08 16.4 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.346 0.593 . . . . 0.0 112.277 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mm -144.65 164.67 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 126.843 2.057 . . . . 0.0 107.009 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -139.43 154.71 47.83 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.542 0.61 . . . . 0.0 111.889 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -139.82 144.38 28.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 124.192 0.997 . . . . 0.0 108.962 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.35 -135.46 44.56 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -136.75 17.22 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.221 0.609 . . . . 0.0 110.034 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -142.44 8.59 1.79 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.295 0.638 . . . . 0.0 111.493 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.13 147.13 33.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.198 0 CA-C-N 118.723 0.692 . . . . 0.0 110.412 -178.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -138.58 153.17 48.66 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.92 0.888 . . . . 0.0 108.61 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -134.6 149.23 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.8 m -143.21 151.89 41.13 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -110.37 87.82 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.428 HD21 ' C2 ' ' B' ' 67' ' ' ' C' . 21.5 mt -66.36 -26.39 67.25 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -168.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.18 -173.57 44.77 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.706 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . 0.423 HG13 HG11 ' C' ' 8' ' ' VAL . 6.6 p -140.73 144.58 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.352 0.661 . . . . 0.0 109.382 -175.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -151.09 75.37 1.19 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.88 -142.02 34.04 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -67.06 -7.14 20.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 118.636 -0.697 . . . . 0.0 110.956 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -101.15 150.12 23.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 119.087 0.858 . . . . 0.0 109.328 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -136.54 140.39 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -104.11 132.1 50.71 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -130.04 151.94 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -169.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.79 150.24 17.08 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -177.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -138.74 144.2 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -144.74 106.03 4.22 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.53 158.9 35.45 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.749 0.82 . . . . 0.0 109.802 -177.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.83 154.07 75.49 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.833 2.355 . . . . 0.0 110.392 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -70.62 -0.7 9.21 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.12 -0.363 . . . . 0.0 110.592 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.77 -7.07 36.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.798 0.839 . . . . 0.0 110.618 172.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -136.7 169.24 20.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.923 0.889 . . . . 0.0 108.819 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.25 156.59 29.66 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -173.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 m -148.02 134.11 12.22 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -159.67 166.01 31.47 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.59 0.709 . . . . 0.0 111.727 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -58.89 148.04 31.68 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 168.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -56.64 -31.66 64.57 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 122.229 -0.294 . . . . 0.0 111.719 -174.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.29 -35.91 47.3 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.952 -0.467 . . . . 0.0 111.261 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -72.88 -34.52 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -55.71 -26.47 45.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.749 0.819 . . . . 0.0 111.628 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -74.84 -15.59 60.72 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.636 0.374 . . . . 0.0 111.563 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -86.18 -4.34 59.15 Favored 'General case' 0 C--O 1.227 -0.09 0 O-C-N 121.266 -0.896 . . . . 0.0 110.263 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.05 -12.69 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.366 0.666 . . . . 0.0 109.784 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -122.21 -12.63 8.25 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -132.09 -2.26 3.61 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -176.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' C' ' 55' ' ' LEU . . . -155.81 -12.07 0.06 OUTLIER Glycine 0 CA--C 1.527 0.831 0 CA-C-N 118.236 0.471 . . . . 0.0 112.022 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . 0.407 ' H ' ' H ' ' C' ' 54' ' ' GLY . 0.9 OUTLIER 51.0 -173.18 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.871 1.668 . . . . 0.0 112.752 -179.579 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 47.5 p -79.19 7.89 6.84 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.23 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.65 62.83 7.28 Favored Pre-proline 0 CA--C 1.533 0.316 0 C-N-CA 122.907 0.483 . . . . 0.0 111.202 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -47.26 -36.41 22.39 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 124.203 3.268 . . . . 0.0 114.465 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 CA--C 1.533 0.32 0 C-N-CA 122.308 0.243 . . . . 0.0 111.562 -175.393 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.972 -2.728 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.438 -3.262 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 57' ' ' ' G' . . . . . 0.478 HO2' " H5'" ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.356 -3.344 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 58' ' ' ' U' . . . . . 0.499 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O4'-C1'-N19 111.733 3.533 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.499 " H5'" HO2' ' D' ' 58' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C4'-C3'-C2' 99.484 -3.216 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 60' ' ' ' A' . . . . . 0.455 HO2' " H5'" ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.997 0 C4'-C3'-C2' 99.299 -3.401 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 61' ' ' ' U' . . . . . 0.595 HO2' " H5'" ' D' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.569 -3.131 . 0.573 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 62' ' ' ' C' . . . . . 0.595 " H5'" HO2' ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.872 0 C4'-C3'-C2' 99.877 -2.823 . 0.579 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 63' ' ' ' A' . . . . . 0.581 HO2' " C5'" ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-N19 110.626 2.426 . 0.403 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 64' ' ' ' G' . . . . . 0.581 " C5'" HO2' ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 C4'-C3'-C2' 98.686 -4.014 . 0.01 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.541 0 N19-C1'-C2' 109.12 -2.675 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 66' ' ' ' A' . . . . . 0.549 " C2'" H5'' ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C3'-C2'-C1' 104.488 3.32 . 0.52 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 67' ' ' ' C' . . . . . 0.55 " H4'" " C5'" ' D' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.325 2 O5'-C5'-C4' 118.311 5.794 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' D' D ' 68' ' ' ' G' . . . . . 0.55 " C5'" " H4'" ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.957 1 P-O3'-C3' 125.374 4.728 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 69' ' ' ' A' . . . . . 0.519 HO2' " H5'" ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.228 -3.472 . 0.723 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 70' ' ' ' U' . . . . . 0.596 HO2' " H5'" ' D' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 98.837 -3.863 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 71' ' ' ' G' . . . . . 0.596 " H5'" HO2' ' D' ' 70' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C4'-C3'-C2' 99.34 -3.36 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 72' ' ' ' A' . . . . . 0.423 HO2' " H5'" ' D' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.942 -2.758 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 73' ' ' ' C' . . . . . 0.427 HO2' " H5'" ' D' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C4'-C3'-C2' 99.562 -3.138 . 0.871 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 74' ' ' ' C' . . . . . 0.427 " H5'" HO2' ' D' ' 73' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C4'-C3'-C2' 99.367 -3.333 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 C4'-C3'-C2' 99.869 -2.831 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.598 ' HG2' HD11 ' A' ' 3' ' ' ILE . 7.2 tpp . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 120.398 0.142 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.2 tm? -126.57 111.18 14.06 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 171.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.598 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.1 mp -106.13 143.29 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.02 0.928 . . . . 0.0 110.362 -175.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -161.41 173.21 15.24 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.116 0.566 . . . . 0.0 110.919 173.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -109.91 155.15 22.09 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.158 0.504 . . . . 0.0 110.989 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -145.34 166.89 24.26 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.83 1.252 . . . . 0.0 109.304 176.23 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -115.51 153.57 30.91 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -57.74 127.49 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.77 7.2 53.68 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.617 -0.546 . . . . 0.0 112.791 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -118.3 178.62 4.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.056 0.928 . . . . 0.0 110.939 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.4 m -139.74 170.45 15.87 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -170.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' C' ' 44' ' ' ARG . 37.9 mm -141.15 163.6 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 127.059 2.144 . . . . 0.0 107.15 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -134.75 151.65 51.14 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.8 0.727 . . . . 0.0 111.27 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -145.95 144.38 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.565 0.746 . . . . 0.0 110.257 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.39 12.82 9.36 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.193 0.901 . . . . 0.0 114.627 171.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 57.13 10.51 0.84 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.245 1.018 . . . . 0.0 113.608 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -141.27 7.67 1.99 Allowed 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.559 0.744 . . . . 0.0 110.843 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.39 145.3 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -138.84 152.63 48.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -132.34 144.8 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -139.18 120.82 15.22 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.432 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.6 tp -75.43 99.85 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 174.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.7 mt -73.83 -27.47 61.12 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 122.172 -0.33 . . . . 0.0 111.78 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.04 -179.09 39.16 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 m -120.2 163.33 17.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-O 121.193 0.52 . . . . 0.0 111.016 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -151.44 60.07 0.89 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.63 -133.76 16.37 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -177.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.58 -18.01 65.0 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.422 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -87.73 148.57 24.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.1 t -140.01 125.39 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -88.35 130.18 35.21 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -137.69 154.59 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -172.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.61 157.99 19.82 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.7 mt -138.1 144.66 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -139.78 111.52 7.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.71 158.34 34.15 Favored Pre-proline 0 N--CA 1.45 -0.439 0 C-N-CA 123.502 0.721 . . . . 0.0 109.626 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.95 152.7 81.42 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.913 2.409 . . . . 0.0 110.38 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -69.99 -0.81 8.13 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 122.093 -0.379 . . . . 0.0 110.733 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -68.08 -8.76 40.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.448 0.699 . . . . 0.0 110.297 171.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.18 169.09 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.295 1.038 . . . . 0.0 108.223 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.36 160.4 30.54 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.59 0.233 . . . . 0.0 111.401 -174.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -143.54 131.36 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -156.18 162.31 40.21 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.505 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 27.7 ttt85 -59.39 150.75 25.48 Favored 'General case' 0 CA--C 1.527 0.064 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 169.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -60.9 -24.35 65.92 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -172.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.505 ' H ' ' HG2' ' A' ' 44' ' ' ARG . 76.0 mm-40 -74.37 -46.92 37.39 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.945 -0.472 . . . . 0.0 110.56 175.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -64.4 -27.89 43.66 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.2 t80 . . . . . 0 N--CA 1.45 -0.453 0 C-N-CA 123.462 0.705 . . . . 0.0 110.686 177.821 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.572 ' HG2' HD11 ' C' ' 3' ' ' ILE . 11.1 tpp . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 120.273 0.082 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' C' ' 1' ' ' MET . 2.2 tm? -126.95 108.69 11.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 170.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.572 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.6 mp -97.9 150.95 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 123.959 0.903 . . . . 0.0 109.651 -174.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 82.8 mt -151.48 179.84 8.01 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.142 0.977 . . . . 0.0 111.183 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.3 p -131.8 128.81 39.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 166.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.4 ' HA ' ' CZ ' ' C' ' 6' ' ' ARG . 1.5 tpm_? -131.18 138.71 49.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 173.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -86.77 155.29 20.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.928 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.647 HG11 HG12 ' C' ' 25' ' ' VAL . 18.0 m -54.32 127.15 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.515 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.9 1.45 45.65 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-O 119.44 -0.645 . . . . 0.0 113.074 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -114.56 179.62 3.9 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.73 1.265 . . . . 0.0 111.14 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.5 m -134.44 171.68 13.97 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -171.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mt -147.8 167.66 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 126.262 1.825 . . . . 0.0 106.493 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -136.92 154.15 50.54 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.507 0.594 . . . . 0.0 111.229 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.0 mt -142.05 142.24 28.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 C-N-CA 123.953 0.901 . . . . 0.0 109.127 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.5 -133.32 52.73 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -136.54 11.79 3.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.247 0.619 . . . . 0.0 109.873 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -144.37 10.21 1.45 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.176 0.591 . . . . 0.0 111.966 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.04 145.95 34.86 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 118.818 0.735 . . . . 0.0 110.239 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -137.68 154.55 49.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.4 mm -136.2 148.38 27.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -176.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -141.88 130.1 22.22 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.951 0.405 . . . . 0.0 110.006 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.418 HG22 ' H ' ' C' ' 22' ' ' ILE . 1.7 tp -84.9 87.78 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.71 -28.27 68.94 Favored 'General case' 0 C--N 1.338 0.087 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -168.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.1 -176.26 46.54 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.906 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.647 HG12 HG11 ' C' ' 8' ' ' VAL . 7.3 p -140.64 145.07 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.515 0.726 . . . . 0.0 109.433 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -147.82 60.2 1.13 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.612 1.165 . . . . 0.0 108.726 -175.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.03 -133.92 17.64 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.72 -10.11 33.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.906 -0.568 . . . . 0.0 111.206 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -102.13 148.61 25.19 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 118.567 0.621 . . . . 0.0 109.528 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.3 t -138.25 147.07 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -115.36 130.27 56.84 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.88 153.75 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -169.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.05 155.85 20.47 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 1' ' ' MET . 68.9 mt -137.96 144.56 30.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.7 t-20 -139.83 109.06 6.1 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -178.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.32 160.66 30.68 Favored Pre-proline 0 N--CA 1.451 -0.387 0 C-N-CA 124.151 0.98 . . . . 0.0 109.086 -176.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.22 151.89 83.96 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.819 2.346 . . . . 0.0 110.221 174.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -69.42 -0.76 6.91 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.809 -0.557 . . . . 0.0 110.653 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.92 -5.38 25.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.02 0.928 . . . . 0.0 110.883 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 m -134.78 169.69 20.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.85 156.02 34.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.953 -0.467 . . . . 0.0 111.095 -174.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 m -146.05 131.93 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -157.64 169.78 23.88 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 118.061 0.392 . . . . 0.0 111.466 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.471 ' HA ' HD13 ' A' ' 12' ' ' ILE . 44.3 mtp-105 -64.65 150.64 46.69 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 170.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -61.39 -26.83 68.1 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.103 -0.373 . . . . 0.0 110.629 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -72.74 -43.88 62.37 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.822 0.449 . . . . 0.0 110.375 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -69.98 -31.2 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 79.9 t80 . . . . . 0 N--CA 1.45 -0.473 0 C-N-CA 123.256 0.622 . . . . 0.0 111.827 -176.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 mmm . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.942 0.401 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.26 108.18 7.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 169.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -98.56 150.58 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.515 0.726 . . . . 0.0 109.441 -173.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.44 HD13 ' H ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -154.81 164.52 38.7 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.01 0.924 . . . . 0.0 109.231 -172.034 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.44 ' H ' HD13 ' A' ' 4' ' ' LEU . 1.3 p -125.92 152.58 45.42 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 170.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -148.98 162.64 39.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -115.97 162.16 17.78 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 118.169 0.44 . . . . 0.0 110.23 173.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -57.32 131.96 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.986 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.41 6.79 58.49 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.442 -0.643 . . . . 0.0 112.999 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -118.62 178.59 4.41 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 118.227 1.014 . . . . 0.0 110.315 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -137.25 170.16 16.57 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -169.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mt -143.62 166.05 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 126.898 2.079 . . . . 0.0 106.871 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -138.12 155.0 49.18 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.696 0.68 . . . . 0.0 112.083 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -139.79 147.46 23.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 124.296 1.038 . . . . 0.0 108.569 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.1 -138.3 39.35 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -133.7 15.85 3.97 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.147 0.579 . . . . 0.0 109.932 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -143.55 10.41 1.63 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.845 0.858 . . . . 0.0 111.989 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.24 147.74 32.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 119.067 0.848 . . . . 0.0 111.084 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -139.07 154.89 48.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.28 1.032 . . . . 0.0 108.583 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -136.8 143.24 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -139.46 129.23 24.69 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.788 0.328 . . . . 0.0 110.369 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.4 tp -83.16 93.91 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.3 -27.31 64.29 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -170.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.08 -179.81 40.55 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.333 -0.461 . . . . 0.0 112.06 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -125.58 163.39 26.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 121.372 0.606 . . . . 0.0 110.563 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 m -151.32 59.51 0.9 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.622 1.169 . . . . 0.0 108.019 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.36 -132.99 17.31 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -66.15 -11.05 46.77 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.077 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -98.86 149.2 23.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 118.934 0.788 . . . . 0.0 109.029 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.2 t -134.77 146.45 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -112.1 128.52 56.23 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -134.0 155.21 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -170.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.01 156.57 20.78 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' C' ' 1' ' ' MET . 64.0 mt -137.81 144.84 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -140.53 108.85 5.81 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.14 161.54 29.03 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 123.742 0.817 . . . . 0.0 109.283 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.28 156.84 63.07 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.912 2.408 . . . . 0.0 110.742 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -69.27 -0.46 6.2 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.012 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.19 -10.54 42.56 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.323 1.049 . . . . 0.0 110.296 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.52 169.18 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 124.554 1.142 . . . . 0.0 108.796 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.02 156.61 33.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 122.195 -0.316 . . . . 0.0 111.129 -175.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -145.19 128.68 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -156.55 158.13 36.59 Favored 'General case' 0 C--N 1.337 0.063 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.4 ptt85 -70.17 159.23 34.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -56.78 -23.92 46.73 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -170.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -75.06 -45.02 44.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.829 0.741 . . . . 0.0 110.797 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.6 mm -73.94 -28.46 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.3 t80 . . . . . 0 N--CA 1.449 -0.522 0 C-N-CA 123.047 0.539 . . . . 0.0 111.158 -179.188 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.571 ' HG2' HD11 ' C' ' 3' ' ' ILE . 7.3 tpp . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.817 -0.068 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' C' ' 1' ' ' MET . 2.9 tm? -125.06 109.74 13.3 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 171.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.571 HD11 ' HG2' ' C' ' 1' ' ' MET . 5.0 mp -104.82 141.82 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.775 0.83 . . . . 0.0 110.029 -175.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.3 174.66 12.52 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.567 174.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -110.74 158.0 19.14 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.222 0.534 . . . . 0.0 111.239 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.24 153.05 38.2 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -95.55 149.07 21.83 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.579 HG11 HG12 ' C' ' 25' ' ' VAL . 15.9 m -56.78 119.65 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 177.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.85 5.06 25.86 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.332 -0.705 . . . . 0.0 112.914 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -121.22 -176.16 3.22 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.424 1.112 . . . . 0.0 110.82 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -135.95 171.39 14.54 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mt -146.12 166.39 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 126.699 1.999 . . . . 0.0 106.973 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -139.71 154.05 47.37 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 118.754 0.706 . . . . 0.0 111.858 -176.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -147.27 149.68 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 123.962 0.905 . . . . 0.0 109.648 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.51 13.99 4.53 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 124.741 1.162 . . . . 0.0 115.186 171.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 55.17 12.04 0.62 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -142.67 8.99 1.76 Allowed 'General case' 0 C--N 1.34 0.187 0 C-N-CA 123.667 0.787 . . . . 0.0 110.609 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.43 149.64 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -136.21 150.48 49.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.4 mm -133.02 147.75 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 13.1 m -141.98 125.1 16.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.419 HG22 ' H ' ' C' ' 22' ' ' ILE . 1.9 tp -81.08 87.1 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.53 -27.95 69.31 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -170.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.68 -173.92 43.92 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 120.39 -0.91 . . . . 0.0 113.106 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.579 HG12 HG11 ' C' ' 8' ' ' VAL . 7.7 p -141.35 140.27 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.882 0.873 . . . . 0.0 109.344 -173.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -150.76 83.5 1.34 Allowed 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.921 0.888 . . . . 0.0 108.631 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.68 -142.09 39.67 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 -173.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -69.89 -12.93 61.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.616 0.708 . . . . 0.0 111.589 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -78.23 149.81 33.57 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -142.76 118.59 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -90.05 136.19 33.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -135.59 150.95 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -170.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.61 150.38 18.36 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.3 mt -138.66 144.43 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -144.57 105.52 4.18 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.59 159.26 36.64 Favored Pre-proline 0 C--N 1.332 -0.155 0 C-N-CA 123.375 0.67 . . . . 0.0 109.797 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.23 154.03 75.75 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.466 2.778 . . . . 0.0 110.695 173.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -70.18 -2.02 11.9 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.99 -0.444 . . . . 0.0 110.758 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.93 -8.76 31.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.092 0.957 . . . . 0.0 110.032 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m -138.02 169.36 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.135 0.974 . . . . 0.0 108.534 176.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.12 160.23 30.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.063 -0.398 . . . . 0.0 111.537 -173.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.9 m -146.4 131.59 12.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -157.08 166.74 32.46 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 122.239 -0.288 . . . . 0.0 110.329 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.15 156.24 25.74 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 172.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -59.28 -23.9 62.79 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 122.11 -0.368 . . . . 0.0 111.374 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -75.18 -49.13 20.46 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.256 -0.278 . . . . 0.0 110.752 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.6 mm -69.6 -29.37 41.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-O 121.116 0.484 . . . . 0.0 110.31 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 83.5 t80 . . . . . 0 N--CA 1.452 -0.33 0 C-N-CA 123.892 0.877 . . . . 0.0 112.104 -177.046 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 119.876 -0.106 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -124.1 113.74 18.77 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 3' ' ' ILE . 4.5 mp -112.38 138.12 42.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 123.877 0.871 . . . . 0.0 108.971 -172.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.72 169.56 22.54 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 122.699 0.399 . . . . 0.0 110.79 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.4 p -106.0 157.84 17.22 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.605 0.717 . . . . 0.0 111.28 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -146.81 155.76 42.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.028 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -104.05 152.19 22.36 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 m -57.07 128.23 17.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.08 7.96 55.76 Favored Glycine 0 CA--C 1.531 1.074 0 CA-C-O 119.627 -0.541 . . . . 0.0 112.789 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -119.45 -177.35 3.35 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.903 0.851 . . . . 0.0 110.31 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 m -139.01 169.65 17.4 Favored 'General case' 0 C--N 1.339 0.147 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' C' ' 44' ' ' ARG . 39.1 mm -140.27 163.58 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 126.667 1.987 . . . . 0.0 106.245 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -136.36 150.35 48.79 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.259 0.936 . . . . 0.0 111.164 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -145.94 142.34 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.789 0.836 . . . . 0.0 110.77 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.03 18.85 9.68 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 124.265 0.936 . . . . 0.0 114.348 172.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p30 45.9 17.09 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.943 1.697 . . . . 0.0 115.079 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -137.67 6.42 2.71 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 123.597 0.759 . . . . 0.0 110.158 172.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.21 146.92 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -138.04 154.81 49.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -131.41 142.4 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.3 m -134.18 119.91 19.41 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.424 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.6 tp -78.76 92.46 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -68.57 -28.27 66.8 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -170.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.53 -178.73 38.97 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 121.381 -0.437 . . . . 0.0 112.22 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -117.27 163.12 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 CA-C-O 121.603 0.715 . . . . 0.0 110.754 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.2 t -151.07 58.58 0.91 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.66 -134.85 22.73 Favored Glycine 0 C--N 1.337 0.621 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.22 -9.59 33.65 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.133 0.466 . . . . 0.0 111.287 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -97.62 148.28 23.45 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.33 137.27 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -100.66 129.55 46.59 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -135.06 151.72 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -171.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.16 156.37 18.28 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' C' ' 1' ' ' MET . 66.3 mt -136.78 144.86 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -139.57 107.4 5.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.22 158.19 36.6 Favored Pre-proline 0 N--CA 1.452 -0.362 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.8 145.87 96.93 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.059 1.839 . . . . 0.0 108.992 175.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -62.68 -8.45 6.64 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.143 0.497 . . . . 0.0 110.999 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.4 -6.63 15.12 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.691 1.996 . . . . 0.0 112.346 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -133.84 169.23 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 176.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.67 156.19 25.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.838 0.29 . . . . 0.0 111.545 -173.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.5 m -146.58 126.24 5.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -156.28 160.88 40.16 Favored 'General case' 0 CA--C 1.521 -0.161 0 O-C-N 121.867 -0.52 . . . . 0.0 110.406 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -65.73 156.41 33.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.32 -23.52 62.55 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -76.19 -45.02 35.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.048 -0.407 . . . . 0.0 110.365 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.34 -31.92 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 N--CA 1.452 -0.358 0 C-N-CA 123.191 0.596 . . . . 0.0 111.376 -177.728 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.587 ' HG2' HD11 ' C' ' 3' ' ' ILE . 9.9 tpp . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.2 tm? -128.51 108.1 10.26 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 171.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.587 HD11 ' HG2' ' C' ' 1' ' ' MET . 5.1 mp -103.25 141.12 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.486 0.714 . . . . 0.0 110.205 -174.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -161.56 173.19 15.14 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.041 0.536 . . . . 0.0 110.687 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.0 p -108.43 157.21 18.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.382 0.61 . . . . 0.0 110.81 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 5.4 tpm_? -148.65 138.86 22.42 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.984 174.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -80.78 153.11 27.94 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.43 136.99 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.98 -0.28 72.51 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.437 -0.646 . . . . 0.0 112.52 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -104.47 -178.03 3.54 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.162 0.981 . . . . 0.0 110.131 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 40.0 m -137.53 169.12 18.33 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -171.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 59.1 mt -144.16 167.59 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 126.426 1.89 . . . . 0.0 107.018 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -140.89 155.88 46.21 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 121.667 -0.646 . . . . 0.0 111.713 -177.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -140.15 147.56 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.981 0.912 . . . . 0.0 108.601 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.12 -135.11 44.16 Favored Glycine 0 C--N 1.337 0.625 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -134.45 12.61 3.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.998 0.519 . . . . 0.0 109.904 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -142.84 11.25 1.82 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.366 0.666 . . . . 0.0 111.729 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.41 149.45 33.67 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 CA-C-O 121.627 0.727 . . . . 0.0 110.322 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.0 m -137.77 154.39 49.59 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 36.0 mm -137.65 149.78 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 -176.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -141.66 149.79 41.07 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.37 86.0 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.52 -25.55 67.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -169.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -176.93 37.8 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.548 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.67 163.61 16.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 CA-C-O 121.834 0.825 . . . . 0.0 110.264 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -151.18 59.87 0.91 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.24 -133.81 18.77 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.12 -10.3 48.7 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.269 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -97.47 150.93 20.52 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.852 0.751 . . . . 0.0 109.662 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.06 141.68 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -105.91 130.04 53.94 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.4 155.39 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.086 -169.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.44 151.6 17.63 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -141.04 144.44 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -144.56 104.6 4.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -175.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.74 159.96 31.73 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 123.568 0.747 . . . . 0.0 109.822 -176.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.16 150.2 88.8 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 123.136 2.558 . . . . 0.0 110.235 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -64.43 -3.44 2.99 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.819 -0.551 . . . . 0.0 110.93 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.9 -6.25 15.78 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.965 0.906 . . . . 0.0 110.87 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -136.14 163.56 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.88 156.43 32.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.073 -0.392 . . . . 0.0 111.196 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 m -144.68 132.66 17.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -156.95 164.34 38.14 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.649 0.261 . . . . 0.0 110.905 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.441 ' HA ' HD13 ' A' ' 12' ' ' ILE . 15.0 ptm180 -69.94 151.04 46.08 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -59.75 -34.24 72.7 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -169.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -80.13 -13.89 58.92 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.38 -0.825 . . . . 0.0 111.781 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -90.55 -29.67 4.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 172.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 . . . . . 0 N--CA 1.452 -0.352 0 C-N-CA 123.457 0.703 . . . . 0.0 111.675 -178.181 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.503 ' HG2' HD11 ' A' ' 3' ' ' ILE . 13.0 tpp . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.148 0.023 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.453 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.0 tm? -126.98 105.22 8.46 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.503 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.3 mp -100.01 144.09 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.108 0.963 . . . . 0.0 110.365 -175.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -162.3 173.77 13.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.654 0.782 . . . . 0.0 110.74 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -112.38 153.74 26.83 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.975 0.416 . . . . 0.0 110.995 176.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.417 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -145.52 164.87 30.3 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.579 1.152 . . . . 0.0 108.798 173.371 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -108.57 152.38 24.85 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.101 0.56 . . . . 0.0 109.526 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.53 HG11 HG12 ' A' ' 25' ' ' VAL . 13.8 m -58.43 114.64 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-O 120.926 0.393 . . . . 0.0 110.505 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.48 -12.06 13.96 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -91.02 -178.37 5.17 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 117.636 0.718 . . . . 0.0 111.158 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -140.55 171.86 13.52 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.32 0.581 . . . . 0.0 112.525 -173.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 12' ' ' ILE . 40.4 mt -146.52 166.34 7.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 126.095 1.758 . . . . 0.0 106.828 -176.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -140.75 148.39 40.62 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.037 -0.414 . . . . 0.0 111.004 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -145.83 145.53 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 C-N-CA 123.18 0.592 . . . . 0.0 110.568 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.38 13.64 7.69 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.926 0.774 . . . . 0.0 114.374 171.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 56.06 11.8 0.81 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.375 1.07 . . . . 0.0 113.726 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -141.62 7.77 1.92 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.269 0.628 . . . . 0.0 110.528 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.96 144.9 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.6 m -135.32 150.81 50.06 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -133.44 147.56 31.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -140.35 124.94 18.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.442 HG22 ' H ' ' A' ' 22' ' ' ILE . 2.1 tp -78.47 94.4 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 176.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.74 -26.46 65.26 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.85 -171.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.0 -171.84 42.51 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.364 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.53 HG12 HG11 ' A' ' 8' ' ' VAL . 7.4 p -139.87 146.83 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.842 0.857 . . . . 0.0 110.035 -173.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.8 m -147.06 67.08 1.15 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.658 1.183 . . . . 0.0 108.424 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.59 -131.5 14.57 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 -175.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.08 -23.57 67.2 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.641 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.4 ' HA ' ' HB3' ' C' ' 7' ' ' LYS . 13.3 tt0 -81.74 149.99 28.17 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.115 0.484 . . . . 0.0 110.141 -177.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -145.63 113.29 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -172.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -87.64 132.47 34.08 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -135.31 154.25 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -172.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.37 156.41 20.41 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.3 mt -136.22 144.51 32.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -176.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -141.33 107.97 5.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.19 159.22 33.16 Favored Pre-proline 0 N--CA 1.455 -0.222 0 C-N-CA 123.386 0.674 . . . . 0.0 109.819 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.43 154.45 68.37 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.119 2.546 . . . . 0.0 109.924 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.439 ' HE3' ' N ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -70.03 -4.92 23.18 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 121.716 -0.615 . . . . 0.0 110.233 178.532 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.85 -6.7 17.32 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.73 1.212 . . . . 0.0 111.047 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.1 m -135.52 163.7 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.57 152.06 34.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.054 -0.404 . . . . 0.0 110.962 -174.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.86 131.51 15.39 Favored 'Isoleucine or valine' 0 C--N 1.337 0.057 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -156.17 162.8 40.16 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-O 120.937 0.399 . . . . 0.0 111.627 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -59.26 143.56 48.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 169.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -58.27 -27.66 64.23 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.181 0.446 . . . . 0.0 111.931 -174.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -63.86 -49.06 74.26 Favored 'General case' 0 CA--C 1.527 0.095 0 O-C-N 121.917 -0.489 . . . . 0.0 110.548 174.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.2 mm -72.98 -24.29 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 122.497 0.319 . . . . 0.0 110.545 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.2 t80 . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.515 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.573 ' HG2' HD11 ' C' ' 3' ' ' ILE . 9.8 tpp . . . . . 0 N--CA 1.472 0.635 0 CA-C-O 120.386 0.136 . . . . 0.0 110.735 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' C' ' 1' ' ' MET . 2.8 tm? -123.22 105.48 9.92 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 172.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.573 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.9 mp -100.51 142.76 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.033 0.933 . . . . 0.0 110.434 -174.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.3 168.51 23.87 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.313 0.645 . . . . 0.0 110.503 174.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.2 p -107.59 151.36 25.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.626 0.727 . . . . 0.0 111.444 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.2 OUTLIER -145.42 170.17 16.88 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 126.089 1.755 . . . . 0.0 106.578 173.479 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . 19.1 pttm -143.05 168.65 19.22 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.461 HG11 HG12 ' C' ' 25' ' ' VAL . 17.7 m -48.37 128.94 4.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.05 5.08 62.69 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 119.5 -0.611 . . . . 0.0 112.956 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -108.12 176.29 5.18 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.144 0.972 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.4 m -141.41 171.01 14.65 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.416 HG22 ' H ' ' C' ' 13' ' ' ASN . 8.5 mt -143.84 170.08 9.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 125.575 1.55 . . . . 0.0 107.124 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ASN . . . . . 0.416 ' H ' HG22 ' C' ' 12' ' ' ILE . 11.0 t-20 -140.57 146.9 38.63 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 121.474 -0.766 . . . . 0.0 110.758 -178.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -145.86 142.84 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 123.618 0.767 . . . . 0.0 110.341 -176.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.52 10.42 5.91 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.122 0.868 . . . . 0.0 114.789 171.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.4 t0 55.56 14.32 1.18 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.099 0.95 . . . . 0.0 113.508 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -140.88 6.83 2.03 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.317 0.647 . . . . 0.0 110.108 174.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.79 147.85 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -139.74 152.82 46.94 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 mm -130.92 148.01 33.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -142.97 125.56 15.84 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -79.37 95.19 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.9 mt -70.72 -27.07 63.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -171.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.77 177.12 40.54 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.209 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.461 HG12 HG11 ' C' ' 8' ' ' VAL . 7.1 p -132.48 149.29 32.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 C-N-CA 123.126 0.571 . . . . 0.0 110.454 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.1 p -151.08 78.85 1.3 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.82 0.848 . . . . 0.0 109.103 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.3 -141.97 36.55 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.12 -10.85 44.73 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 118.931 -0.557 . . . . 0.0 111.495 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -97.87 148.69 23.17 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 118.8 0.727 . . . . 0.0 109.605 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 23.2 t -137.09 138.68 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -104.4 127.38 52.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -132.09 153.26 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -171.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.47 155.27 19.94 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 1' ' ' MET . 67.4 mt -135.24 144.65 33.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -178.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -138.08 109.14 6.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.66 159.14 32.43 Favored Pre-proline 0 C--O 1.234 0.277 0 C-N-CA 123.578 0.751 . . . . 0.0 109.584 -177.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.54 152.22 82.49 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.981 2.454 . . . . 0.0 110.443 173.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -63.98 -1.5 1.5 Allowed 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 173.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.26 -10.78 45.52 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.375 1.07 . . . . 0.0 110.502 174.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -138.36 169.09 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.625 1.17 . . . . 0.0 108.187 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.49 155.46 34.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.277 -0.264 . . . . 0.0 110.819 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -144.07 128.37 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -156.72 156.8 34.0 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 ptt-85 -64.08 155.65 30.72 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 170.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.01 -23.24 61.76 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -170.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -69.29 -52.55 26.4 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 118.536 0.607 . . . . 0.0 110.972 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 25.4 mm -65.51 -26.65 39.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.099 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 . . . . . 0 N--CA 1.447 -0.595 0 C-N-CA 122.665 0.386 . . . . 0.0 110.68 178.815 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mmm . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 121.178 0.513 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -136.03 113.84 11.13 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 168.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -112.76 141.19 29.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 123.555 0.742 . . . . 0.0 110.244 -172.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -160.88 166.55 28.27 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.03 0.532 . . . . 0.0 110.492 175.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.1 p -102.99 157.16 17.17 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.206 0.527 . . . . 0.0 111.21 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -146.05 164.5 31.93 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.851 1.66 . . . . 0.0 107.875 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -118.72 158.69 25.06 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.652 HG11 HG12 ' A' ' 25' ' ' VAL . 18.3 m -53.66 121.35 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.49 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.34 8.76 35.05 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 119.767 -0.463 . . . . 0.0 112.764 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -116.01 179.83 3.87 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.025 0.912 . . . . 0.0 110.184 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -140.59 169.94 16.72 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 121.76 0.79 . . . . 0.0 112.669 -172.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.1 mm -142.76 163.36 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 126.94 2.096 . . . . 0.0 106.631 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -137.94 154.84 49.37 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.662 -0.649 . . . . 0.0 111.781 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -141.14 144.43 26.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.48 -136.3 40.18 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -134.87 15.11 3.6 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.216 0.606 . . . . 0.0 109.987 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -141.14 8.52 2.06 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.612 0.765 . . . . 0.0 111.831 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.92 147.48 33.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 118.807 0.731 . . . . 0.0 110.848 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.5 m -140.39 154.62 46.76 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.217 1.007 . . . . 0.0 108.374 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -135.67 149.72 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -143.51 151.84 40.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.06 89.89 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.0 mt -69.26 -23.64 63.88 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -170.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.62 -176.43 44.14 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.744 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.652 HG12 HG11 ' A' ' 8' ' ' VAL . 9.2 p -141.07 144.76 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 123.777 0.831 . . . . 0.0 109.531 -175.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 m -149.95 73.7 1.18 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.764 0.826 . . . . 0.0 108.837 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.11 -139.39 29.46 Favored Glycine 0 C--N 1.338 0.685 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.27 -16.58 64.14 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.789 176.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.95 151.11 24.46 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 119.062 0.846 . . . . 0.0 109.076 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -143.7 133.18 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -99.1 130.25 45.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -128.4 153.89 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -169.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.37 152.92 17.49 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -178.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.5 mt -141.01 143.19 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -143.98 104.51 4.16 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.64 159.69 33.93 Favored Pre-proline 0 N--CA 1.451 -0.42 0 C-N-CA 124.125 0.97 . . . . 0.0 109.389 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -65.19 152.28 82.72 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.874 2.383 . . . . 0.0 110.316 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -69.57 -1.97 10.2 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.13 -0.356 . . . . 0.0 110.516 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -69.09 -7.16 33.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.985 0.914 . . . . 0.0 110.421 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.47 169.21 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.15 155.56 34.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.169 -0.332 . . . . 0.0 111.634 -172.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -146.73 131.41 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -158.18 169.11 25.25 Favored 'General case' 0 C--O 1.232 0.132 0 O-C-N 121.592 -0.693 . . . . 0.0 112.003 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.18 150.78 28.86 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.639 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.89 -23.98 65.62 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 122.302 -0.249 . . . . 0.0 111.109 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -78.91 -42.89 25.98 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.307 -0.246 . . . . 0.0 110.681 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -70.31 -33.76 55.59 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 C-N-CA 122.828 0.451 . . . . 0.0 110.029 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.1 t80 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 123.291 0.637 . . . . 0.0 111.58 -177.803 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmm . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 119.987 -0.054 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.81 115.18 16.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.0 138.88 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.91 0.884 . . . . 0.0 109.874 -172.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -160.91 168.06 25.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.844 0.458 . . . . 0.0 110.644 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.9 p -107.24 157.26 18.04 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.481 0.657 . . . . 0.0 111.575 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.427 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.1 OUTLIER -146.86 164.92 31.31 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.249 1.819 . . . . 0.0 107.19 175.186 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -117.37 161.97 18.68 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 171.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.612 HG11 HG12 ' C' ' 25' ' ' VAL . 20.0 m -51.59 128.31 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.589 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.69 8.68 57.04 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.499 -0.611 . . . . 0.0 112.761 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -113.67 176.1 5.17 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.42 1.11 . . . . 0.0 110.59 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.3 m -139.55 169.16 18.26 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -171.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.4 mm -141.24 161.52 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 127.012 2.125 . . . . 0.0 106.94 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -134.86 154.32 51.69 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.676 -0.64 . . . . 0.0 111.293 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -141.13 139.59 33.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.56 -131.41 46.55 Favored Glycine 0 C--N 1.337 0.629 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -139.41 17.61 2.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.396 0.679 . . . . 0.0 109.46 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -142.35 6.94 1.73 Allowed 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.94 0.496 . . . . 0.0 111.703 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.04 146.34 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.003 0.82 . . . . 0.0 110.783 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 61.9 m -140.99 152.95 45.33 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.0 mm -136.58 148.45 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -144.33 143.51 31.01 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.882 0.372 . . . . 0.0 110.108 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -97.77 93.43 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.24 -28.01 66.85 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.662 -170.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.93 -178.39 44.19 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.334 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.612 HG12 HG11 ' C' ' 8' ' ' VAL . 11.4 p -137.17 146.13 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.485 0.714 . . . . 0.0 109.654 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -147.89 71.61 1.19 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.561 1.144 . . . . 0.0 108.458 -177.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.58 -137.89 26.6 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -66.0 -18.01 65.06 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.584 -0.722 . . . . 0.0 110.783 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.4 149.34 26.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 119.075 0.852 . . . . 0.0 109.253 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.6 t -143.4 129.8 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -97.26 130.37 44.47 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -129.87 147.17 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 O-C-N 123.446 0.466 . . . . 0.0 109.906 -170.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.01 150.41 18.63 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 66.7 mt -137.45 144.43 31.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -144.18 105.98 4.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -176.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.28 158.66 34.41 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.576 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.65 153.01 79.5 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.767 2.311 . . . . 0.0 110.702 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -69.61 -2.04 10.52 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.221 -0.299 . . . . 0.0 110.545 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.1 -7.8 44.35 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.909 0.883 . . . . 0.0 110.546 172.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -136.86 169.62 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.25 157.59 26.75 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 122.21 -0.306 . . . . 0.0 111.822 -173.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 m -148.68 131.35 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 N-CA-C 108.336 -0.986 . . . . 0.0 108.336 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -158.03 166.8 31.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.52 0.676 . . . . 0.0 112.71 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.516 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 52.1 ttt180 -63.63 146.84 53.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.577 -1.192 . . . . 0.0 107.976 169.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -57.76 -23.85 54.21 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.516 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 13.0 tp10 -72.93 -45.06 60.19 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.072 -0.392 . . . . 0.0 110.361 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 mm -72.28 -30.48 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 C-N-CA 122.866 0.467 . . . . 0.0 110.406 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.7 t80 . . . . . 0 N--CA 1.449 -0.515 0 C-N-CA 124.154 0.982 . . . . 0.0 111.718 -176.654 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 mmm . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.151 0.5 . . . . 0.0 111.512 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -135.67 111.91 9.74 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 169.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.38 151.22 9.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 C-N-CA 123.663 0.785 . . . . 0.0 110.255 -171.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -149.68 175.55 11.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.237 1.015 . . . . 0.0 111.508 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -129.28 117.45 20.7 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 168.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -112.51 164.47 13.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -120.17 158.2 27.45 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.367 0.604 . . . . 0.0 110.168 171.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -53.24 129.73 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.897 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.91 8.79 58.93 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.605 -0.553 . . . . 0.0 112.549 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -118.03 -179.26 3.71 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 117.886 0.843 . . . . 0.0 110.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.8 m -139.79 170.54 15.69 Favored 'General case' 0 C--N 1.339 0.145 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -171.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.9 mt -143.23 165.62 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 126.163 1.785 . . . . 0.0 107.07 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -137.46 154.39 49.92 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.507 -0.746 . . . . 0.0 112.002 -175.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.22 139.77 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.063 0.945 . . . . 0.0 108.537 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.92 -134.2 40.27 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -137.52 17.73 2.91 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.467 0.707 . . . . 0.0 109.266 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -140.32 6.75 2.14 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.723 0.409 . . . . 0.0 111.526 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -132.55 147.14 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 CA-C-N 118.643 0.656 . . . . 0.0 110.552 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -139.84 153.54 47.09 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.5 mm -133.58 149.37 30.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -176.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m -141.21 154.16 45.67 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -117.91 86.74 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -66.46 -25.54 66.77 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -169.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.2 -177.07 41.35 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.714 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.4 m -129.34 162.11 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-O 121.214 0.53 . . . . 0.0 110.283 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -150.61 67.46 0.95 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 176.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.35 -134.55 21.29 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -65.76 -17.11 64.39 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.78 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.11 149.89 25.23 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.4 t -142.45 128.95 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -92.8 127.48 38.32 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -126.77 155.17 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -171.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.73 152.19 18.41 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.1 mt -141.08 143.15 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -143.89 102.55 3.91 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.18 159.23 33.15 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.679 0.792 . . . . 0.0 109.685 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.94 152.26 81.62 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.152 2.568 . . . . 0.0 110.977 175.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -65.13 -5.42 6.63 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 121.989 -0.444 . . . . 0.0 110.663 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.6 -6.46 15.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.865 0.866 . . . . 0.0 110.912 174.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -136.08 161.26 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.74 153.4 30.37 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 122.172 -0.33 . . . . 0.0 110.706 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.3 m -144.08 131.14 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -157.72 159.76 37.2 Favored 'General case' 0 N--CA 1.461 0.12 0 O-C-N 122.187 -0.321 . . . . 0.0 110.312 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' H ' ' HG2' ' A' ' 44' ' ' ARG . 15.3 ptt180 -61.44 149.61 38.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 170.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.51 -24.35 65.25 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -171.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -73.46 -42.9 61.36 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.769 -0.582 . . . . 0.0 110.274 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mp -71.52 -28.23 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 122.916 0.486 . . . . 0.0 109.697 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.1 t80 . . . . . 0 N--CA 1.451 -0.405 0 C-N-CA 122.298 0.239 . . . . 0.0 111.053 -179.215 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 119.547 -0.263 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -128.93 115.09 17.3 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.402 ' N ' HD12 ' C' ' 3' ' ' ILE . 4.9 mp -114.17 137.02 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.629 0.772 . . . . 0.0 109.395 -172.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.8 175.24 12.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.732 175.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -115.13 151.4 34.41 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.476 0.655 . . . . 0.0 111.54 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -145.51 166.15 26.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.953 1.701 . . . . 0.0 106.865 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -117.36 161.3 19.76 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.572 HG11 HG12 ' C' ' 25' ' ' VAL . 29.6 m -49.13 129.03 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.681 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.61 9.81 59.69 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.939 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -116.28 174.11 6.23 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.456 1.128 . . . . 0.0 110.361 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 52.6 m -138.34 170.49 15.93 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -169.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 44.4 mt -143.99 166.94 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 125.974 1.71 . . . . 0.0 107.005 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -138.08 150.73 47.16 Favored 'General case' 0 C--N 1.334 -0.093 0 O-C-N 121.71 -0.619 . . . . 0.0 111.063 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -147.4 143.27 19.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 123.459 0.704 . . . . 0.0 110.3 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.5 12.17 8.69 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.148 0.88 . . . . 0.0 114.975 171.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.5 t0 56.09 13.13 1.09 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -141.39 5.33 1.84 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.253 0.621 . . . . 0.0 110.694 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.22 148.15 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.8 m -138.11 152.38 48.7 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.2 mm -133.28 148.16 31.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.5 m -145.87 127.35 15.04 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -79.42 93.53 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.35 -27.44 67.13 Favored 'General case' 0 N--CA 1.458 -0.073 0 O-C-N 122.295 -0.253 . . . . 0.0 111.589 -172.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.25 179.42 41.75 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.572 HG12 HG11 ' C' ' 8' ' ' VAL . 11.4 p -134.47 145.15 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -147.84 72.18 1.22 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.45 -139.57 30.71 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -66.57 -16.81 64.44 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.09 -0.481 . . . . 0.0 111.174 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.84 147.02 27.02 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.83 123.21 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -89.63 130.51 35.91 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.51 149.05 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -171.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.2 152.96 17.75 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -138.62 144.45 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -144.22 106.03 4.31 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.77 158.07 40.1 Favored Pre-proline 0 CA--C 1.531 0.231 0 C-N-CA 123.592 0.757 . . . . 0.0 109.516 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.25 150.88 81.62 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.644 2.229 . . . . 0.0 110.117 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -67.49 -2.38 6.38 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.169 -0.332 . . . . 0.0 110.965 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.59 -7.89 42.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.592 0.757 . . . . 0.0 110.566 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -136.99 168.77 21.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.8 155.03 28.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 122.358 -0.214 . . . . 0.0 111.362 -173.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.4 m -146.33 130.45 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -155.53 159.61 39.86 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.163 0.506 . . . . 0.0 111.254 175.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -62.7 147.87 48.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 171.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -59.71 -23.82 63.46 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -78.37 -24.5 46.35 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 122.03 -0.419 . . . . 0.0 111.025 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.36 -33.72 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.068 0 C-N-CA 123.15 0.58 . . . . 0.0 109.466 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 78.0 t80 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 123.361 0.664 . . . . 0.0 111.295 -178.258 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.477 ' HG2' HD11 ' A' ' 3' ' ' ILE . 13.0 tpp . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.466 0.175 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.7 tm? -126.06 107.09 10.09 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 171.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.2 mp -100.74 144.37 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.182 0.993 . . . . 0.0 110.249 -175.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pp -163.67 175.69 10.35 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.584 0.754 . . . . 0.0 110.846 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.9 p -117.15 156.47 27.58 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 121.523 0.678 . . . . 0.0 111.218 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.89 164.23 32.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.341 1.456 . . . . 0.0 108.005 172.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -106.58 153.36 22.46 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.563 HG11 HG12 ' A' ' 25' ' ' VAL . 14.3 m -57.92 114.77 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.05 9.41 15.89 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.356 -0.691 . . . . 0.0 112.696 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -118.63 -179.53 3.83 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.278 1.039 . . . . 0.0 110.747 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -139.82 172.04 13.35 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -169.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.7 mt -152.52 167.48 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 126.742 2.017 . . . . 0.0 107.311 -172.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -143.39 154.71 44.0 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.154 0.502 . . . . 0.0 111.789 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.8 mt -139.26 143.61 30.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.86 -134.78 43.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -176.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -137.39 17.88 2.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -141.68 7.96 1.92 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.585 0.754 . . . . 0.0 111.526 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.48 147.12 33.16 Favored 'Isoleucine or valine' 0 C--N 1.339 0.144 0 CA-C-N 118.664 0.665 . . . . 0.0 110.166 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 m -140.77 153.96 46.07 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.256 1.022 . . . . 0.0 108.608 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -137.81 146.57 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 m -141.19 128.22 20.72 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.407 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.4 tp -81.0 98.1 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.25 -24.08 60.42 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.11 -172.64 40.8 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.316 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.563 HG12 HG11 ' A' ' 8' ' ' VAL . 7.4 p -144.2 146.05 21.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.866 0.866 . . . . 0.0 110.586 -173.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 m -150.85 99.81 2.75 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.131 0.972 . . . . 0.0 108.882 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.51 -126.62 38.04 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 -175.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -89.82 -9.6 48.54 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 117.783 0.791 . . . . 0.0 109.386 175.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -74.18 151.45 40.0 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.3 t -146.8 114.73 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -86.57 129.31 34.91 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.444 HD11 HH22 ' C' ' 6' ' ' ARG . 1.3 mt -136.55 150.04 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.87 156.31 15.74 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.9 mt -135.71 144.31 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -142.09 109.81 5.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.35 159.94 32.66 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.615 0.766 . . . . 0.0 109.121 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.1 153.31 78.62 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.903 2.402 . . . . 0.0 110.254 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -70.4 -1.29 10.24 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.057 -0.402 . . . . 0.0 110.569 176.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.1 -7.19 33.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.669 0.788 . . . . 0.0 110.758 171.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -137.24 169.27 19.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.079 0.952 . . . . 0.0 108.487 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.86 160.63 28.34 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.029 -0.419 . . . . 0.0 112.071 -172.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -145.81 133.95 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -156.5 164.1 38.63 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 122.104 -0.372 . . . . 0.0 110.345 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -68.15 153.44 43.73 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 172.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -57.7 -23.91 54.07 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.94 -44.16 55.86 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.276 0.489 . . . . 0.0 110.386 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -72.58 -31.21 36.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 121.145 0.497 . . . . 0.0 109.99 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 N--CA 1.45 -0.443 0 C-N-CA 123.603 0.761 . . . . 0.0 111.825 -177.149 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.537 ' HG2' HD11 ' C' ' 3' ' ' ILE . 9.0 tpp . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.777 -0.083 . . . . 0.0 110.777 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -119.53 106.0 11.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 169.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.537 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.9 mp -91.3 149.98 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 24.4 mt -143.2 168.41 19.83 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -145.12 112.18 6.0 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.532 ' HE ' HG21 ' C' ' 22' ' ' ILE . 0.0 OUTLIER -141.27 164.82 29.21 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.436 174.692 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -105.02 176.65 5.09 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -169.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.449 HG11 HG12 ' C' ' 25' ' ' VAL . 21.7 m -53.62 142.24 7.18 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.668 -175.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.66 -16.48 57.96 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.388 -0.673 . . . . 0.0 112.943 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -75.7 176.95 7.22 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.624 1.212 . . . . 0.0 111.164 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.7 m -144.4 159.49 42.64 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.313 0.645 . . . . 0.0 110.441 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.401 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 39.9 mm -143.68 164.88 14.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.025 1.33 . . . . 0.0 107.836 -176.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -140.07 154.53 47.09 Favored 'General case' 0 N--CA 1.457 -0.082 0 O-C-N 121.644 -0.66 . . . . 0.0 112.189 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -139.99 145.63 26.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 124.45 1.1 . . . . 0.0 108.787 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.38 -137.39 41.96 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -134.96 16.33 3.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.083 0.553 . . . . 0.0 109.915 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -142.67 9.55 1.78 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.755 0.822 . . . . 0.0 111.97 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.56 146.65 33.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 118.939 0.79 . . . . 0.0 110.866 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 60.5 m -138.47 154.71 48.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.189 0.996 . . . . 0.0 108.407 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.9 mm -136.52 147.07 27.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -141.34 137.74 32.59 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.532 HG21 ' HE ' ' C' ' 6' ' ' ARG . 2.4 tp -93.65 94.78 4.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.05 -24.89 61.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.834 -169.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.45 179.18 41.16 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.451 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.449 HG12 HG11 ' C' ' 8' ' ' VAL . 8.5 p -134.47 148.58 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.009 0.524 . . . . 0.0 109.616 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 63.0 m -146.02 67.0 1.2 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.363 1.065 . . . . 0.0 108.466 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.61 -137.16 25.48 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -65.71 -12.5 54.23 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 118.788 -0.625 . . . . 0.0 111.357 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -97.42 148.47 23.16 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 119.124 0.875 . . . . 0.0 109.45 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 26.7 t -135.59 142.68 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -109.37 127.59 54.46 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.27 154.25 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -170.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.45 154.54 20.05 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.0 mt -136.1 144.93 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -140.32 108.69 5.83 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.05 160.16 31.3 Favored Pre-proline 0 N--CA 1.451 -0.413 0 C-N-CA 123.596 0.758 . . . . 0.0 109.351 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -65.39 156.24 64.42 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.756 2.304 . . . . 0.0 110.834 175.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -68.53 -0.53 5.18 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-O 121.156 0.503 . . . . 0.0 110.149 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -66.41 -12.58 57.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.708 1.203 . . . . 0.0 110.133 172.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -138.59 169.44 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.845 1.258 . . . . 0.0 108.396 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.01 159.26 24.2 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.81 -0.557 . . . . 0.0 110.964 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.4 m -146.34 126.36 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -156.57 164.14 38.55 Favored 'General case' 0 CA--C 1.523 -0.069 0 O-C-N 122.299 -0.251 . . . . 0.0 110.328 175.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -64.96 156.74 30.21 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 171.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.77 -23.45 67.22 Favored 'General case' 0 C--N 1.333 -0.138 0 O-C-N 122.445 -0.159 . . . . 0.0 111.245 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.75 -47.22 63.83 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.824 0.345 . . . . 0.0 110.154 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.8 mm -72.94 -28.91 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 76.7 t80 . . . . . 0 N--CA 1.45 -0.441 0 C-N-CA 122.881 0.472 . . . . 0.0 110.667 179.824 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 2' ' ' LEU . 14.8 tpp . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.893 -0.04 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.2 tm? -125.54 108.1 11.27 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 169.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.447 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.3 mp -102.38 143.46 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.075 0 C-N-CA 123.583 0.753 . . . . 0.0 110.021 -175.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.13 169.89 20.08 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.044 0.537 . . . . 0.0 110.674 174.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.6 p -105.42 157.93 17.0 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.454 0.645 . . . . 0.0 111.335 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -148.41 163.88 35.8 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 176.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -120.6 157.64 29.08 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.387 0.613 . . . . 0.0 110.009 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.4 m -53.4 127.1 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.247 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.93 8.57 53.94 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 119.532 -0.593 . . . . 0.0 112.843 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -118.58 -176.74 3.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.163 0.982 . . . . 0.0 110.189 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.1 m -140.39 168.11 20.57 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -172.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' C' ' 44' ' ' ARG . 35.7 mm -141.33 162.98 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 126.627 1.971 . . . . 0.0 106.699 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -139.15 154.85 48.15 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.971 0.805 . . . . 0.0 112.284 -177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.7 mt -140.42 145.49 25.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 124.054 0.942 . . . . 0.0 108.654 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.7 -139.26 32.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -132.77 16.57 4.29 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.359 0.663 . . . . 0.0 110.065 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -142.06 8.85 1.88 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.812 0.845 . . . . 0.0 111.689 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.54 146.48 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 119.021 0.828 . . . . 0.0 110.797 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -139.86 155.74 47.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -137.54 146.4 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -136.33 150.17 48.74 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -110.81 91.26 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.23 -26.2 63.74 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.496 -168.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.91 -177.86 39.55 Favored Glycine 0 C--N 1.336 0.583 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.633 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 m -124.95 161.32 28.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.262 0.554 . . . . 0.0 110.534 176.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 m -151.19 63.93 0.9 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.94 -133.32 20.55 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.5 -18.59 65.43 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.118 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -86.87 148.77 25.22 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.0 t -140.23 129.0 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -90.95 129.99 36.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -134.42 155.25 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -170.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 156.69 21.76 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.4 mt -138.13 145.76 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -142.24 110.54 6.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.69 158.75 33.11 Favored Pre-proline 0 N--CA 1.452 -0.368 0 C-N-CA 123.614 0.765 . . . . 0.0 109.35 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.56 150.49 86.55 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.207 2.605 . . . . 0.0 110.406 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -64.45 -5.0 4.49 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 122.368 -0.207 . . . . 0.0 110.588 175.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -66.15 -7.04 15.54 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.393 0.677 . . . . 0.0 110.742 173.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -137.33 167.46 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.32 159.34 27.63 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.951 -0.468 . . . . 0.0 111.144 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.05 131.76 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -156.03 160.16 39.77 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.7 ptt85 -68.79 156.4 38.41 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 172.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.0 -24.11 56.87 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -169.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.49 -40.64 66.76 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.397 -0.814 . . . . 0.0 110.992 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.64 -31.34 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.1 t80 . . . . . 0 N--CA 1.453 -0.286 0 C-N-CA 122.683 0.393 . . . . 0.0 111.501 -176.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.564 ' HG2' HD11 ' C' ' 3' ' ' ILE . 6.8 tpp . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 110.767 -0.086 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.405 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.2 tm? -124.96 108.05 11.47 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 172.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.564 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.4 mp -96.54 151.25 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.728 1.211 . . . . 0.0 110.083 -172.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 38.4 mt -147.36 173.05 12.97 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.595 1.158 . . . . 0.0 111.268 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p -129.46 120.19 25.03 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 167.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 3.4 tpm_? -125.81 132.2 52.3 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -81.24 156.85 25.4 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.522 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.653 HG11 HG12 ' C' ' 25' ' ' VAL . 17.2 m -55.24 129.82 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.701 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.96 2.5 58.25 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.31 -0.717 . . . . 0.0 112.918 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -110.55 179.7 4.0 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.517 1.158 . . . . 0.0 110.752 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.8 m -137.81 171.49 14.35 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -170.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.424 HG22 ' N ' ' C' ' 13' ' ' ASN . 62.4 mt -152.9 166.28 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 127.015 2.126 . . . . 0.0 107.4 -170.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ASN . . . . . 0.424 ' N ' HG22 ' C' ' 12' ' ' ILE . 18.7 m120 -142.39 154.73 44.87 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -140.33 145.72 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 114.662 -1.153 . . . . 0.0 108.611 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.97 -138.57 42.16 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -133.91 15.77 3.91 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.032 0.533 . . . . 0.0 110.048 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -142.23 9.74 1.88 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.553 0.741 . . . . 0.0 111.595 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.0 146.82 32.98 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.952 0.796 . . . . 0.0 110.889 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 40.7 m -136.04 153.44 51.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -137.4 147.42 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.9 m -140.7 148.1 40.26 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -107.43 85.57 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.5 mt -63.47 -25.23 68.17 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -167.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.27 -174.84 44.34 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.218 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.653 HG12 HG11 ' C' ' 8' ' ' VAL . 7.9 p -141.59 142.81 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.166 0.986 . . . . 0.0 109.292 -175.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.6 m -148.44 70.51 1.13 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.935 0.894 . . . . 0.0 108.616 -175.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.77 -138.76 28.98 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 108.801 -1.72 . . . . 0.0 108.801 -175.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.49 -16.49 64.16 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 118.808 -0.615 . . . . 0.0 110.973 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.64 149.36 25.38 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 52.9 t -141.5 142.51 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -111.39 128.88 56.11 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.6 154.94 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.81 -169.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.35 154.94 21.45 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.0 mt -136.45 144.7 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -138.89 106.72 5.65 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.11 160.93 30.73 Favored Pre-proline 0 N--CA 1.452 -0.357 0 C-N-CA 123.702 0.801 . . . . 0.0 109.426 -177.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -65.35 155.55 68.06 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.952 2.435 . . . . 0.0 110.601 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -68.05 -0.53 4.57 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 122.116 -0.365 . . . . 0.0 110.244 172.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.26 -11.71 51.98 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.434 1.094 . . . . 0.0 110.199 173.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -138.53 169.34 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.681 1.192 . . . . 0.0 108.258 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.51 158.83 26.43 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.172 -0.33 . . . . 0.0 111.065 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.1 m -146.13 130.22 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.074 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -157.98 171.0 21.04 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 122.112 -0.368 . . . . 0.0 110.531 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.409 ' HA ' HD13 ' A' ' 12' ' ' ILE . 76.9 mtm180 -68.1 156.92 36.41 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 170.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -59.69 -25.31 64.66 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.046 0.451 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.72 -48.21 55.73 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.353 0.661 . . . . 0.0 111.06 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -74.63 -27.14 20.51 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.13 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -176.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.2 t80 . . . . . 0 N--CA 1.451 -0.381 0 C-N-CA 123.578 0.751 . . . . 0.0 111.752 -178.494 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.587 ' HG2' HD11 ' A' ' 3' ' ' ILE . 8.0 tpp . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 120.499 0.19 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.0 tm? -128.28 109.97 11.96 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 171.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.587 HD11 ' HG2' ' A' ' 1' ' ' MET . 4.9 mp -104.16 144.25 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.242 1.017 . . . . 0.0 110.094 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -162.1 -178.73 6.58 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.142 0.577 . . . . 0.0 110.216 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -119.28 155.39 31.88 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.946 0.879 . . . . 0.0 111.053 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.404 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 4.7 tpm_? -148.82 163.85 36.17 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 177.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -134.75 166.57 22.65 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 119.582 1.083 . . . . 0.0 110.984 169.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.467 HG11 HG12 ' A' ' 25' ' ' VAL . 19.6 m -47.16 133.5 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 123.731 0.644 . . . . 0.0 112.462 -171.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.6 0.24 72.95 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.285 -0.73 . . . . 0.0 113.519 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -103.16 -178.61 3.71 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.493 1.147 . . . . 0.0 110.242 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -140.16 168.05 20.7 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -174.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.2 mt -143.83 162.82 15.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 125.923 1.689 . . . . 0.0 107.432 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -137.59 155.9 48.68 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.462 0.649 . . . . 0.0 111.443 -176.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.1 mt -142.88 140.8 27.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.395 1.078 . . . . 0.0 108.921 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.26 -135.51 44.18 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -177.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -136.5 16.28 3.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.183 0.593 . . . . 0.0 110.267 176.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -139.61 6.85 2.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.272 0.629 . . . . 0.0 111.573 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -129.62 146.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 CA-C-N 118.822 0.737 . . . . 0.0 110.368 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.8 m -138.81 154.86 48.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.0 mm -137.65 149.7 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -141.82 151.97 43.27 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -111.09 86.09 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.08 -25.9 68.0 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.381 -169.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.12 179.22 41.55 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.585 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG12 HG11 ' A' ' 8' ' ' VAL . 10.3 p -135.01 146.31 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -145.65 71.65 1.28 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.489 1.116 . . . . 0.0 108.168 -176.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.32 -136.7 23.95 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -175.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -67.67 -14.27 62.8 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.797 -0.621 . . . . 0.0 111.086 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.41 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 2.9 tp-100 -85.37 148.73 25.87 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.862 0.755 . . . . 0.0 109.533 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.4 t -142.09 126.09 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.0 ttm-85 -95.22 131.35 41.37 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -130.28 149.96 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.76 -169.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.36 148.93 18.87 Favored Glycine 0 C--N 1.332 0.345 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -137.62 143.82 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -144.55 104.87 4.1 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.58 159.18 36.84 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.311 0.644 . . . . 0.0 109.849 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.01 152.8 79.63 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.776 2.317 . . . . 0.0 110.592 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -69.4 -1.89 9.56 Favored 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.066 -0.396 . . . . 0.0 110.772 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -69.42 -7.59 39.09 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.812 0.845 . . . . 0.0 110.763 172.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.33 169.03 20.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.03 155.38 23.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.119 -0.363 . . . . 0.0 111.052 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -145.94 124.39 4.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.041 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -157.8 170.27 22.74 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 122.14 -0.35 . . . . 0.0 110.124 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.476 ' HA ' HD13 ' C' ' 12' ' ' ILE . 49.4 ptt85 -83.08 159.18 22.18 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -54.53 -32.79 58.87 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -169.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.79 -28.06 63.36 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.974 -0.454 . . . . 0.0 112.048 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -87.55 -27.68 5.67 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.3 t80 . . . . . 0 N--CA 1.452 -0.374 0 C-N-CA 123.028 0.531 . . . . 0.0 111.874 -178.231 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 35.3 mmm . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 120.929 0.395 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -135.74 114.63 12.1 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 167.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.32 142.11 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.212 -172.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.1 174.84 12.41 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.065 0.546 . . . . 0.0 110.882 176.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.8 p -116.25 156.88 25.8 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.764 0.793 . . . . 0.0 111.071 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.451 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.5 OUTLIER -146.03 164.89 30.66 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.399 1.48 . . . . 0.0 107.741 175.009 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 42.6 mtmt -116.18 165.15 13.48 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.561 172.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.9 m -58.12 131.91 22.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.465 -175.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.55 -13.52 61.14 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.637 0.637 . . . . 0.0 111.921 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -86.2 179.56 6.9 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.051 0.925 . . . . 0.0 110.921 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.6 m -140.18 168.33 20.06 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.519 0.676 . . . . 0.0 112.553 -175.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 44' ' ' ARG . 29.0 mm -140.09 161.47 25.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 126.492 1.917 . . . . 0.0 106.943 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -138.3 154.1 49.01 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 121.747 -0.596 . . . . 0.0 111.607 -177.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -142.27 143.8 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.57 -138.83 36.43 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -133.4 16.42 4.05 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.292 0.637 . . . . 0.0 110.263 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -141.76 8.45 1.92 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.696 0.798 . . . . 0.0 111.833 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.57 145.1 36.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 CA-C-N 119.044 0.838 . . . . 0.0 110.873 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 76.2 m -140.84 155.54 46.32 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.31 1.044 . . . . 0.0 108.588 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 mm -137.35 147.45 26.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -140.43 128.95 22.76 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.985 0.357 . . . . 0.0 110.285 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -82.82 96.9 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.97 -26.73 62.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -171.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.78 -176.6 40.57 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.49 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -128.48 161.49 37.08 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.332 0.587 . . . . 0.0 110.66 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.0 m -151.32 72.14 1.03 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.81 -136.63 23.21 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 -174.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.53 -20.36 66.31 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.2 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -76.65 150.08 36.42 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.88 119.23 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -89.58 131.87 35.38 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -135.22 152.26 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -172.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.67 157.0 18.88 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' MET . 66.0 mt -138.9 144.93 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -176.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -141.62 108.04 5.29 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.4 159.17 33.06 Favored Pre-proline 0 N--CA 1.451 -0.401 0 C-N-CA 123.883 0.873 . . . . 0.0 108.824 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.51 151.69 84.11 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 122.623 2.215 . . . . 0.0 110.339 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -68.3 -2.05 7.52 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.226 -0.296 . . . . 0.0 110.376 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.27 -7.17 34.51 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.114 0.966 . . . . 0.0 110.663 172.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.89 168.46 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.946 0.898 . . . . 0.0 108.595 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.63 156.32 26.06 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 122.327 -0.233 . . . . 0.0 111.317 -174.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.3 m -144.79 125.99 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.068 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -159.2 164.17 35.33 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.88 0.372 . . . . 0.0 110.854 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -66.14 159.65 25.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -57.35 -32.52 66.84 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.406 0.283 . . . . 0.0 111.433 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -69.64 -45.69 67.88 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 120.368 0.128 . . . . 0.0 111.238 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.2 -30.87 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.6 t80 . . . . . 0 CA--C 1.529 0.152 0 C-N-CA 123.715 0.806 . . . . 0.0 111.94 -178.805 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ttp . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.45 128.16 52.91 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -130.67 141.69 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 C-N-CA 123.43 0.692 . . . . 0.0 109.71 -171.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.24 169.69 21.71 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.504 176.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 p -108.56 153.03 23.94 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.252 0.549 . . . . 0.0 110.254 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.419 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 8.5 mmp_? -144.35 164.83 29.66 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.142 1.377 . . . . 0.0 107.891 175.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' C' ' 29' ' ' GLN . 40.3 mtmt -119.69 160.66 22.1 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 120.728 0.299 . . . . 0.0 110.774 176.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.2 m -55.45 121.66 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.537 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.67 -17.97 27.5 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.771 0.7 . . . . 0.0 112.492 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.59 175.86 10.15 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 118.438 1.119 . . . . 0.0 111.22 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -138.85 168.74 19.16 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 121.55 0.69 . . . . 0.0 111.666 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 12' ' ' ILE . 14.0 mt -143.51 169.67 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 C-N-CA 125.309 1.444 . . . . 0.0 107.238 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -140.81 150.91 43.92 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 118.179 0.445 . . . . 0.0 110.801 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -146.0 142.73 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 123.395 0.678 . . . . 0.0 110.45 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.15 12.98 8.5 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-O 119.229 -0.762 . . . . 0.0 114.83 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.3 t70 58.33 10.67 1.37 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -139.72 5.21 2.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.323 0.649 . . . . 0.0 110.711 176.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.03 146.17 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 m -136.62 151.06 48.91 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -133.07 149.33 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -144.23 124.28 13.61 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -77.46 95.29 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.82 -28.0 65.34 Favored 'General case' 0 C--O 1.23 0.073 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -172.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.23 -176.9 40.82 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.512 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -128.73 161.89 36.82 Favored 'Isoleucine or valine' 0 C--O 1.23 0.073 0 CA-C-O 121.396 0.617 . . . . 0.0 110.306 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.0 m -151.3 74.66 1.15 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.17 -140.17 29.36 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 108.191 -1.964 . . . . 0.0 108.191 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -67.48 -12.28 59.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 117.615 0.707 . . . . 0.0 111.762 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.95 149.36 30.86 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -141.46 120.48 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -90.84 133.75 34.98 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.16 151.72 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -172.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.93 148.09 18.36 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -137.85 144.54 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -143.14 103.99 4.22 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -176.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.36 158.76 43.46 Favored Pre-proline 0 C--O 1.233 0.235 0 C-N-CA 123.989 0.916 . . . . 0.0 109.895 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.77 151.78 81.83 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.97 2.446 . . . . 0.0 110.308 174.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -69.48 -1.48 8.69 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.789 -0.57 . . . . 0.0 110.575 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.49 -10.74 57.52 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.895 0.878 . . . . 0.0 110.504 171.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.6 m -133.42 168.86 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.87 160.66 29.31 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.157 -0.339 . . . . 0.0 111.59 -173.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 m -144.93 129.65 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -157.68 165.35 35.69 Favored 'General case' 0 C--N 1.339 0.121 0 O-C-N 121.813 -0.555 . . . . 0.0 110.289 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -59.94 152.85 22.6 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 171.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -60.91 -31.46 70.97 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 122.031 -0.418 . . . . 0.0 110.796 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -78.75 -20.58 49.58 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.4 mm -90.49 -26.37 5.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.137 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.6 t80 . . . . . 0 N--CA 1.453 -0.286 0 C-N-CA 123.953 0.901 . . . . 0.0 111.225 -179.61 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mmm . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.29 112.69 10.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 168.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -101.7 150.92 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.548 HD13 ' H ' ' C' ' 5' ' ' THR . 0.2 OUTLIER -155.74 162.54 40.51 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.933 0.493 . . . . 0.0 109.679 -172.182 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.548 ' H ' HD13 ' C' ' 4' ' ' LEU . 2.0 p -126.86 146.06 50.42 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 123.095 0.558 . . . . 0.0 110.135 171.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.469 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -143.66 169.02 18.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 174.693 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -118.84 161.79 19.57 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -55.22 129.12 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.939 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.04 -12.97 59.01 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 123.651 0.643 . . . . 0.0 112.649 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -88.04 175.34 7.8 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 118.218 1.009 . . . . 0.0 111.079 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -140.86 168.11 20.58 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -173.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.0 mt -142.3 165.53 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 126.43 1.892 . . . . 0.0 106.877 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -134.58 154.06 51.66 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 118.398 0.545 . . . . 0.0 110.376 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -139.94 143.98 29.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 123.888 0.875 . . . . 0.0 109.082 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.49 -131.31 51.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -136.98 10.6 3.07 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -145.13 10.32 1.3 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.338 0.655 . . . . 0.0 112.006 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.73 146.28 34.39 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 CA-C-N 118.963 0.802 . . . . 0.0 110.212 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -137.89 155.97 48.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -136.29 146.22 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.1 m -144.84 130.64 19.13 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.931 0.396 . . . . 0.0 110.169 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -82.98 95.16 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.01 -25.74 63.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -172.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.34 -179.95 40.06 Favored Glycine 0 CA--C 1.525 0.705 0 O-C-N 122.143 -0.348 . . . . 0.0 112.322 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 17.1 m -131.57 163.93 35.88 Favored 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.382 0.611 . . . . 0.0 110.647 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -151.23 67.81 0.92 Allowed 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.1 -133.8 15.71 Favored Glycine 0 C--N 1.336 0.551 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -65.66 -15.49 62.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 119.028 -0.511 . . . . 0.0 110.77 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 2.8 tp-100 -86.19 146.89 26.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 118.626 0.648 . . . . 0.0 109.314 177.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -141.88 125.05 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 ttm-85 -95.05 129.08 42.28 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.67 154.66 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -171.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.35 149.52 17.49 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -135.19 137.75 49.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -137.19 104.86 5.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -172.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.73 161.98 29.76 Favored Pre-proline 0 C--O 1.234 0.264 0 C-N-CA 123.973 0.909 . . . . 0.0 109.867 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.09 153.83 76.4 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.912 2.408 . . . . 0.0 110.424 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -71.12 -1.02 10.97 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.857 -0.527 . . . . 0.0 110.297 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.29 -6.27 28.36 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.996 0.918 . . . . 0.0 110.498 171.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -136.43 168.14 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 124.005 0.922 . . . . 0.0 108.527 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.99 159.14 28.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 122.221 -0.299 . . . . 0.0 111.276 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -145.24 131.23 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -159.97 167.49 27.85 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.206 0.457 . . . . 0.0 111.644 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -60.44 152.18 26.27 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 169.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.32 -24.98 65.44 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.213 -0.305 . . . . 0.0 111.491 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -75.14 -48.42 23.79 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.939 -0.476 . . . . 0.0 110.727 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.93 -25.97 38.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 34.6 t80 . . . . . 0 N--CA 1.45 -0.453 0 C-N-CA 122.823 0.449 . . . . 0.0 109.892 177.937 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 119.8 -0.143 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -129.37 113.12 14.56 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.8 mp -111.5 137.48 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.813 0.845 . . . . 0.0 109.227 -172.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -160.69 175.67 12.38 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.56 0.344 . . . . 0.0 111.019 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 p -117.65 152.41 35.24 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.308 0.575 . . . . 0.0 111.821 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.88 167.82 21.41 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 126.497 1.919 . . . . 0.0 107.055 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -119.81 161.89 20.02 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HA ' HG13 ' A' ' 22' ' ' ILE . 31.2 m -57.82 133.08 22.7 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.568 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.35 5.66 59.08 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 119.436 -0.647 . . . . 0.0 112.265 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -111.34 176.52 4.99 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.363 1.081 . . . . 0.0 110.895 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.5 m -136.96 169.05 18.42 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.15 167.73 11.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 125.785 1.634 . . . . 0.0 107.559 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -141.82 154.15 45.0 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.184 0.516 . . . . 0.0 111.065 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -140.0 139.04 37.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.66 -131.19 46.8 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.306 -1.517 . . . . 0.0 109.306 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -140.64 19.06 2.35 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.391 0.676 . . . . 0.0 109.203 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -141.17 6.27 1.94 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.125 0.57 . . . . 0.0 111.771 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.63 145.81 34.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.173 0 CA-C-N 118.528 0.604 . . . . 0.0 110.512 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.7 m -139.92 152.32 46.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 mm -136.6 149.37 26.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.7 m -144.25 128.02 17.26 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.7 tp -80.13 95.08 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 175.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.77 -27.95 65.35 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.77 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.02 -176.43 39.28 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.148 -0.549 . . . . 0.0 112.803 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.2 m -133.19 162.4 39.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 121.099 0.476 . . . . 0.0 111.254 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -150.52 75.79 1.23 Allowed 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.4 -107.85 3.14 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -95.96 -12.22 25.38 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 172.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -71.57 153.71 41.96 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.324 0.583 . . . . 0.0 109.74 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 t -146.49 104.64 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm-85 -78.96 133.89 36.85 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -132.16 148.05 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.35 149.41 18.59 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -138.63 144.82 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -144.4 104.01 4.03 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -176.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.3 157.76 33.76 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.153 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.61 151.45 82.76 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.612 2.875 . . . . 0.0 111.028 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -64.74 -6.13 7.32 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.834 -0.541 . . . . 0.0 111.019 175.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.83 -7.18 19.72 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.542 0.737 . . . . 0.0 110.523 174.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.16 166.64 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.99 154.45 38.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.898 -0.501 . . . . 0.0 110.957 -174.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.79 124.84 7.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 O-C-N 123.318 0.386 . . . . 0.0 110.047 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -157.32 159.78 37.85 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.888 -0.508 . . . . 0.0 110.729 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -64.47 151.08 45.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -57.27 -30.04 64.35 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -70.44 -41.1 73.3 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 121.914 -0.491 . . . . 0.0 111.038 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -73.22 -26.88 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 N--CA 1.448 -0.528 0 C-N-CA 123.493 0.717 . . . . 0.0 110.806 179.549 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mmm . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 120.737 0.303 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -135.55 113.13 10.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 169.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.38 143.03 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 123.247 0.619 . . . . 0.0 109.453 -174.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -160.72 172.33 17.26 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.131 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -108.76 154.62 21.79 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.895 0.855 . . . . 0.0 110.432 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.66 HH21 HG22 ' C' ' 22' ' ' ILE . 3.7 mtp180 -149.38 -178.76 6.59 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 114.332 -1.304 . . . . 0.0 108.457 171.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -145.65 168.28 21.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.708 175.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 m -53.59 127.82 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-O 121.009 0.433 . . . . 0.0 111.694 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.72 -16.3 51.58 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 123.716 0.675 . . . . 0.0 113.271 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -82.47 178.05 8.42 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.156 0.978 . . . . 0.0 111.728 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 61.5 m -144.69 165.02 29.24 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.326 0.584 . . . . 0.0 112.266 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.436 ' CD1' HH11 ' C' ' 6' ' ' ARG . 37.2 mt -137.87 163.04 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 125.785 1.634 . . . . 0.0 108.223 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -131.95 147.16 52.45 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -143.81 141.37 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 122.934 0.494 . . . . 0.0 110.463 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.18 13.76 7.45 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 123.787 0.708 . . . . 0.0 114.348 172.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 t70 56.11 12.9 1.04 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.305 1.042 . . . . 0.0 113.756 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -139.63 5.86 2.23 Favored 'General case' 0 C--N 1.34 0.19 0 O-C-N 121.698 -0.626 . . . . 0.0 110.43 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.4 148.77 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -137.75 152.33 49.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.2 mm -132.14 148.87 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -142.01 151.35 42.39 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.66 HG22 HH21 ' C' ' 6' ' ' ARG . 3.1 tp -111.7 87.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.26 -24.66 67.38 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.61 -169.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.45 -176.26 37.12 Favored Glycine 0 C--N 1.338 0.685 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.505 174.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 13.1 m -127.23 163.74 29.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.055 0.455 . . . . 0.0 110.981 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -150.75 75.65 1.22 Allowed 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.49 -141.15 29.35 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 107.713 -2.155 . . . . 0.0 107.713 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -68.97 -11.66 60.94 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.961 175.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.52 149.02 31.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -141.27 122.84 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 -175.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 31.6 ttm-85 -90.8 125.14 35.62 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.88 154.14 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.361 -172.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.34 151.83 16.88 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.2 mt -140.82 144.07 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -143.84 103.52 4.06 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -174.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.07 159.09 36.09 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.825 0.85 . . . . 0.0 109.801 -176.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.32 150.19 84.69 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.416 2.744 . . . . 0.0 110.351 173.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -64.7 -5.38 5.64 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.993 -0.442 . . . . 0.0 110.693 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -67.04 -7.21 21.02 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.618 0.767 . . . . 0.0 110.607 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.07 168.85 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.341 1.056 . . . . 0.0 108.517 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.51 155.81 32.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 122.269 -0.27 . . . . 0.0 111.342 -173.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 9.6 m -144.55 127.62 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.092 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -157.85 159.07 36.26 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -71.16 160.67 32.45 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.125 173.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -56.77 -23.47 43.3 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.518 0.727 . . . . 0.0 112.615 -175.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.36 -39.53 47.14 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.832 -0.543 . . . . 0.0 111.082 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.31 -33.0 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 t80 . . . . . 0 N--CA 1.453 -0.299 0 C-N-CA 123.042 0.537 . . . . 0.0 112.08 -175.699 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.581 ' HG2' HD11 ' A' ' 3' ' ' ILE . 9.9 tpp . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.533 0.206 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.436 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.9 tm? -128.54 106.15 8.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 172.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.581 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.0 mp -101.95 143.49 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.132 0.973 . . . . 0.0 110.535 -174.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.81 173.9 13.16 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.149 0.579 . . . . 0.0 110.453 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.3 p -113.94 156.32 24.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.069 0.461 . . . . 0.0 111.903 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.69 164.21 32.49 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.12 1.368 . . . . 0.0 108.535 170.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -107.52 160.82 15.37 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.7 m -59.95 128.82 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.522 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.86 10.01 53.28 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 119.344 -0.698 . . . . 0.0 112.903 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -116.48 174.58 5.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 118.416 1.108 . . . . 0.0 110.717 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -137.47 174.19 10.86 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -168.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -152.81 165.73 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 127.383 2.273 . . . . 0.0 106.579 -173.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -143.68 154.37 43.44 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 118.329 0.513 . . . . 0.0 112.237 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.2 mt -146.7 150.41 14.99 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 123.879 0.872 . . . . 0.0 110.017 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.27 13.81 7.72 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.545 1.069 . . . . 0.0 114.87 170.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 55.57 12.11 0.74 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.2 1.0 . . . . 0.0 113.533 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -142.18 9.86 1.9 Allowed 'General case' 0 C--N 1.34 0.192 0 C-N-CA 123.358 0.663 . . . . 0.0 110.772 175.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.95 150.3 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 121.302 0.573 . . . . 0.0 109.592 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.3 m -137.4 149.93 47.29 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 mm -133.03 147.53 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -146.14 128.23 15.61 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -78.72 96.49 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 174.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -70.23 -27.53 64.53 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.24 -0.287 . . . . 0.0 111.087 -173.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.87 -178.84 39.16 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.04 164.2 26.27 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 121.126 0.488 . . . . 0.0 110.838 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -151.28 73.08 1.08 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.32 -138.67 29.53 Favored Glycine 0 C--N 1.337 0.629 0 N-CA-C 108.881 -1.688 . . . . 0.0 108.881 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -67.45 -12.72 60.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.245 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.75 150.11 24.81 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 52.3 t -140.73 127.42 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -95.28 131.25 41.56 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.78 151.49 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -171.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.4 149.48 18.01 Favored Glycine 0 C--N 1.333 0.362 0 N-CA-C 108.516 -1.834 . . . . 0.0 108.516 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -138.56 143.87 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -144.22 104.46 4.11 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.165 0.507 . . . . 0.0 109.943 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.28 157.92 41.8 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 123.844 0.857 . . . . 0.0 108.727 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -61.97 146.42 96.32 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.175 1.917 . . . . 0.0 108.82 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -62.59 -8.41 6.4 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.023 0.44 . . . . 0.0 110.916 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.55 -6.5 15.28 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.427 1.891 . . . . 0.0 112.258 176.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -132.76 169.02 22.82 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.5 153.25 30.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 117.697 0.226 . . . . 0.0 111.507 -173.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 m -147.13 128.84 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -158.87 163.97 36.13 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 118.184 0.447 . . . . 0.0 110.035 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -64.91 155.77 33.2 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 171.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -57.32 -30.74 65.04 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.117 -0.365 . . . . 0.0 111.722 -176.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.57 -35.94 70.75 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 122.124 -0.36 . . . . 0.0 111.309 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -82.71 -30.46 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -176.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 63.6 t80 . . . . . 0 N--CA 1.452 -0.345 0 C-N-CA 123.803 0.841 . . . . 0.0 111.236 179.116 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mmm . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.731 0.301 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.61 113.66 11.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 169.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -112.02 141.85 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.07 0.948 . . . . 0.0 109.797 -172.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -163.25 176.12 10.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.926 0.49 . . . . 0.0 110.591 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 23.8 p -122.07 153.98 37.93 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.298 0.57 . . . . 0.0 111.188 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.453 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -147.7 168.08 23.01 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.721 1.608 . . . . 0.0 107.199 173.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -115.06 162.09 17.48 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.851 0.358 . . . . 0.0 110.332 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.4 m -54.81 127.56 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.687 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.04 -15.01 55.58 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.679 0.657 . . . . 0.0 112.241 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -84.68 178.14 7.78 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.019 0.91 . . . . 0.0 110.84 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 28.3 m -139.53 166.77 23.71 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.374 0.607 . . . . 0.0 112.291 -174.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.408 HD13 HG21 ' C' ' 12' ' ' ILE . 37.1 mt -142.63 167.37 14.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 125.627 1.571 . . . . 0.0 107.081 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -140.62 154.65 46.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.807 -0.558 . . . . 0.0 111.351 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -139.83 141.62 33.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 123.865 0.866 . . . . 0.0 108.743 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.78 -133.84 49.96 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -137.68 17.15 2.89 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -142.04 6.96 1.79 Allowed 'General case' 0 C--O 1.231 0.089 0 C-N-CA 123.237 0.615 . . . . 0.0 111.766 -178.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.1 147.41 33.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 118.801 0.728 . . . . 0.0 110.506 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.0 m -138.07 154.98 49.23 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -136.99 146.5 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -177.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.6 m -140.64 129.49 23.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.5 95.2 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -69.2 -29.76 67.79 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.062 -170.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.13 -175.67 40.2 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.55 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 m -124.93 163.07 26.04 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 CA-C-O 121.092 0.473 . . . . 0.0 110.44 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -151.51 68.75 0.91 Allowed 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.48 -138.54 29.09 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -172.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -65.34 -13.06 57.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.793 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -88.65 145.94 25.38 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -133.72 131.47 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -177.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.9 ttm-85 -101.0 129.06 46.78 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.23 154.95 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 -170.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.49 20.23 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 1' ' ' MET . 5.3 mp -133.42 144.88 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -137.53 108.78 6.83 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.78 160.06 31.36 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.045 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.52 152.64 80.36 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.387 2.725 . . . . 0.0 110.75 174.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -65.19 -6.01 8.32 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 122.208 -0.308 . . . . 0.0 110.59 175.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -66.58 -7.86 23.08 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.329 0.652 . . . . 0.0 111.094 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.0 166.06 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 154.03 31.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 121.231 -0.187 . . . . 0.0 110.988 -173.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.5 m -145.26 129.61 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -157.15 159.89 38.24 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -66.08 158.14 29.26 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 169.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.61 -23.03 57.97 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -173.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.75 -45.34 62.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.072 -0.393 . . . . 0.0 110.37 -177.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.25 -28.88 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.2 t80 . . . . . 0 N--CA 1.452 -0.357 0 C-N-CA 122.289 0.236 . . . . 0.0 111.247 -178.255 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ttp . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 111.137 0.051 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.78 127.69 49.48 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.88 141.3 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 C-N-CA 123.201 0.6 . . . . 0.0 109.603 -171.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.53 163.52 32.75 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.236 176.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -94.88 155.46 16.77 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.434 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 1.0 OUTLIER -148.77 140.18 23.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.165 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -96.06 159.15 15.11 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.728 0.694 . . . . 0.0 110.452 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.526 HG11 HG12 ' A' ' 25' ' ' VAL . 27.5 m -52.25 140.48 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.86 -15.65 58.71 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 119.256 -0.747 . . . . 0.0 113.328 175.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -81.7 179.49 7.81 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.718 1.259 . . . . 0.0 111.005 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -138.71 170.22 16.38 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.427 0.632 . . . . 0.0 112.237 -174.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.4 mt -153.36 158.53 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 126.169 1.787 . . . . 0.0 107.555 -172.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -137.07 153.98 50.45 Favored 'General case' 0 C--O 1.231 0.086 0 O-C-N 122.125 -0.359 . . . . 0.0 110.65 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -146.54 146.77 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.631 0.772 . . . . 0.0 110.037 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.24 14.86 4.86 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.54 1.067 . . . . 0.0 114.82 171.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 54.5 12.87 0.58 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -140.44 8.19 2.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.364 0.665 . . . . 0.0 110.51 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.21 146.61 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -135.33 151.12 50.22 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -135.09 145.65 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -137.37 128.64 27.94 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.13 88.26 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.3 mt -63.71 -24.8 67.92 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.84 -177.67 42.02 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.475 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.526 HG12 HG11 ' A' ' 8' ' ' VAL . 11.7 p -137.65 146.84 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.451 0.7 . . . . 0.0 109.174 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -147.61 68.85 1.13 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.014 0.926 . . . . 0.0 108.55 -176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.31 -135.6 22.62 Favored Glycine 0 C--N 1.336 0.551 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -65.79 -17.7 64.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.859 176.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.432 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 2.5 tp-100 -86.33 149.4 25.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.684 0.674 . . . . 0.0 109.919 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -143.07 133.84 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -107.61 133.39 52.12 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -135.58 155.61 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.08 -170.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.88 153.52 19.37 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.8 mt -135.82 144.91 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -143.01 108.87 5.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.76 159.04 36.79 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.743 0.817 . . . . 0.0 109.095 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.52 150.38 88.66 Favored 'Trans proline' 0 N--CA 1.449 -1.104 0 C-N-CA 122.313 2.009 . . . . 0.0 109.782 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -68.97 -0.72 5.99 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.766 -0.584 . . . . 0.0 110.557 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -68.52 -7.68 34.48 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.19 0.996 . . . . 0.0 110.815 171.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -135.84 169.17 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.0 160.57 27.33 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.151 -0.343 . . . . 0.0 111.485 -173.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 m -144.86 131.62 15.53 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.062 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -156.37 167.08 31.56 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 117.886 0.312 . . . . 0.0 110.91 175.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -61.82 156.35 20.8 Favored 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 171.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -62.21 -37.36 85.05 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.157 -0.339 . . . . 0.0 111.07 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -72.49 -20.88 61.29 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.097 0.559 . . . . 0.0 112.0 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.5 mm -90.69 -30.32 4.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.1 t80 . . . . . 0 N--CA 1.449 -0.519 0 C-N-CA 124.347 1.059 . . . . 0.0 111.454 -176.806 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.466 ' HG2' HD11 ' C' ' 3' ' ' ILE . 15.3 tpp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 110.783 -0.08 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' C' ' 1' ' ' MET . 2.9 tm? -124.35 102.33 7.62 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 169.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.466 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.6 mp -85.04 150.6 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.553 0.741 . . . . 0.0 109.032 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.644 HD13 ' H ' ' C' ' 5' ' ' THR . 0.2 OUTLIER -154.77 165.66 35.91 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -173.035 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.644 ' H ' HD13 ' C' ' 4' ' ' LEU . 0.0 OUTLIER -134.42 146.34 49.75 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.906 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -148.63 162.57 39.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -175.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.432 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 41.6 mtmt -120.04 161.4 21.01 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.469 0.652 . . . . 0.0 110.448 172.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -56.6 129.02 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.317 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.94 7.05 56.75 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.463 -0.632 . . . . 0.0 113.099 178.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -115.29 179.48 3.95 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.322 1.061 . . . . 0.0 110.464 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.8 m -141.27 170.26 16.06 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -173.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 49.6 mt -143.58 165.83 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 126.513 1.925 . . . . 0.0 106.957 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -136.76 154.93 50.44 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-N 118.564 0.62 . . . . 0.0 111.808 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -139.64 146.44 25.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -137.71 42.05 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -135.27 17.17 3.42 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.956 0.502 . . . . 0.0 109.692 175.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -143.23 9.29 1.65 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.69 0.796 . . . . 0.0 111.597 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.03 149.08 33.36 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 CA-C-N 118.893 0.769 . . . . 0.0 110.819 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 45.4 m -139.3 154.54 47.94 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.6 mm -135.15 148.61 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -144.21 150.08 37.41 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -111.45 90.26 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.64 -24.64 63.66 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.225 -169.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.98 -177.77 40.34 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.607 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -127.27 161.67 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 CA-C-O 121.381 0.61 . . . . 0.0 110.731 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 56.9 m -151.17 64.4 0.9 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.36 -135.93 21.61 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.4 -14.98 62.1 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 117.463 0.631 . . . . 0.0 110.98 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -88.95 149.63 23.21 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.03 131.26 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -95.02 128.69 42.04 Favored 'General case' 0 CA--C 1.523 -0.087 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -131.38 154.44 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -170.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.33 149.79 17.54 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -136.75 140.05 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -141.75 104.37 4.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 -172.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.97 162.05 30.49 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 124.003 0.921 . . . . 0.0 109.372 -177.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.8 151.49 85.52 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.759 2.306 . . . . 0.0 110.352 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -67.76 -1.84 6.06 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.837 -0.539 . . . . 0.0 110.697 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -68.39 -7.76 34.34 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.921 0.889 . . . . 0.0 110.481 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -136.26 168.98 21.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.45 159.32 32.22 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 122.007 -0.433 . . . . 0.0 111.314 -174.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.53 130.32 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -157.12 162.2 39.41 Favored 'General case' 0 C--O 1.231 0.129 0 O-C-N 121.732 -0.605 . . . . 0.0 110.81 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -59.11 147.44 34.99 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 169.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.13 -22.4 64.64 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.27 0.486 . . . . 0.0 112.238 -175.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -72.21 -43.03 65.07 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.73 -0.606 . . . . 0.0 110.479 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.7 mm -73.58 -31.94 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 93.7 t80 . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 123.98 0.912 . . . . 0.0 111.5 -179.157 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.474 ' HG2' HD11 ' A' ' 3' ' ' ILE . 11.9 tpp . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 120.353 0.121 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.8 tm? -127.35 105.35 8.47 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 171.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.474 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.0 mp -99.95 141.86 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.176 0.99 . . . . 0.0 110.179 -174.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.08 167.42 24.35 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.233 0.613 . . . . 0.0 110.583 173.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 p -98.98 160.31 14.35 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.258 0.551 . . . . 0.0 110.359 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -147.95 158.35 44.0 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 172.717 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -102.99 153.71 19.97 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.12 131.03 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.72 6.11 59.65 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 119.411 -0.661 . . . . 0.0 112.809 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -115.86 179.62 3.93 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.457 1.129 . . . . 0.0 110.792 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -135.27 171.57 14.24 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -169.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mt -153.06 159.86 3.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 127.31 2.244 . . . . 0.0 106.52 -171.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -138.07 154.96 49.23 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 118.696 0.68 . . . . 0.0 111.463 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -141.0 142.84 29.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 124.677 1.191 . . . . 0.0 108.733 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.69 -137.69 45.52 Favored Glycine 0 C--N 1.336 0.534 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -135.02 14.87 3.56 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.117 0.567 . . . . 0.0 110.45 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -140.03 8.31 2.28 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.577 0.751 . . . . 0.0 111.548 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.23 146.41 34.28 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 CA-C-N 118.867 0.758 . . . . 0.0 110.801 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.2 m -136.72 156.93 47.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.377 1.071 . . . . 0.0 108.294 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -137.66 146.84 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -140.83 145.04 35.73 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -104.91 90.52 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.24 -26.75 66.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -168.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.78 -177.04 39.02 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.818 176.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.2 m -125.72 162.24 29.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.404 0.621 . . . . 0.0 110.583 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -151.35 65.18 0.89 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.38 -135.92 21.59 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 109.014 -1.634 . . . . 0.0 109.014 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.68 -16.45 63.76 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.693 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.23 150.78 24.14 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -142.3 134.62 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttm-85 -99.37 128.5 45.49 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -132.45 155.05 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 -171.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.9 153.51 20.34 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' C' ' 1' ' ' MET . 73.7 mt -137.32 144.63 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -140.85 109.43 5.94 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.838 0.351 . . . . 0.0 110.473 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.48 159.64 32.35 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.529 1.132 . . . . 0.0 108.042 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -60.68 149.08 89.36 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 122.011 1.808 . . . . 0.0 108.897 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -61.41 -6.73 2.45 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.256 0.55 . . . . 0.0 110.186 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.58 -11.12 14.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.413 1.885 . . . . 0.0 112.459 176.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -132.29 172.05 17.03 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.93 152.19 31.19 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 122.211 -0.306 . . . . 0.0 110.967 -174.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.7 m -147.48 126.35 4.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -157.78 161.93 38.45 Favored 'General case' 0 N--CA 1.457 -0.106 0 O-C-N 121.782 -0.574 . . . . 0.0 110.956 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -65.54 153.37 41.67 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 172.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -59.07 -29.96 67.71 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.162 0.185 . . . . 0.0 111.466 -176.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -69.18 -40.84 77.86 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.305 0.242 . . . . 0.0 110.47 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -74.86 -31.35 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.8 t80 . . . . . 0 N--CA 1.453 -0.322 0 C-N-CA 123.706 0.802 . . . . 0.0 111.59 -177.031 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.507 ' HG2' HD11 ' C' ' 3' ' ' ILE . 12.4 tpp . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 120.483 0.182 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.436 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.1 tm? -128.85 106.11 8.69 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 172.274 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.507 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.9 mp -101.07 142.59 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 123.902 0.881 . . . . 0.0 109.369 -175.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp -162.28 -179.31 6.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.884 0.474 . . . . 0.0 110.632 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -119.68 152.41 37.17 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.491 0.662 . . . . 0.0 111.104 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.418 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.5 OUTLIER -145.7 168.63 20.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.523 1.529 . . . . 0.0 107.755 176.361 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -118.93 163.33 17.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 174.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.558 HG11 HG12 ' C' ' 25' ' ' VAL . 21.3 m -53.29 136.27 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.692 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.5 -13.89 65.37 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 123.485 0.564 . . . . 0.0 112.485 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -81.96 179.18 7.91 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.908 0.854 . . . . 0.0 111.165 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -140.93 168.85 18.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.379 0.609 . . . . 0.0 111.841 -176.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.421 HG22 ' H ' ' C' ' 13' ' ' ASN . 14.6 mt -143.47 170.05 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 125.603 1.561 . . . . 0.0 107.468 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 13' ' ' ASN . . . . . 0.421 ' H ' HG22 ' C' ' 12' ' ' ILE . 8.8 t-20 -140.48 154.45 46.6 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.7 -0.625 . . . . 0.0 111.538 -176.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -140.46 138.64 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.07 -129.61 47.91 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 -175.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -141.58 15.5 2.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.037 0.535 . . . . 0.0 110.131 174.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -137.1 7.53 2.91 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.503 0.721 . . . . 0.0 111.526 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.06 143.68 40.3 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-N 118.395 0.543 . . . . 0.0 109.549 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 19.5 m -138.37 155.93 48.07 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -137.35 148.71 25.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -138.86 150.36 45.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -110.99 88.18 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.62 -24.84 67.14 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.262 -168.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.89 -179.01 42.49 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.392 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.558 HG12 HG11 ' C' ' 8' ' ' VAL . 11.6 p -132.69 145.53 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.081 0.552 . . . . 0.0 109.682 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -146.21 60.9 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.491 1.117 . . . . 0.0 108.87 -174.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.03 -136.14 23.68 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.79 -10.06 34.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.335 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -103.39 145.39 30.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 119.048 0.84 . . . . 0.0 109.302 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 31.8 t -135.45 141.12 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -105.47 126.99 52.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -130.78 155.39 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.917 -170.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.54 155.23 21.27 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 1' ' ' MET . 70.4 mt -136.59 144.98 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -140.0 108.25 5.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.14 158.96 32.76 Favored Pre-proline 0 N--CA 1.451 -0.379 0 C-N-CA 123.463 0.705 . . . . 0.0 109.954 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.88 151.5 85.53 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.254 2.636 . . . . 0.0 110.635 174.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -65.2 -4.52 5.21 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.014 -0.429 . . . . 0.0 110.681 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.01 -7.05 19.62 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.636 0.774 . . . . 0.0 110.872 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.33 165.55 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.22 156.29 29.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.078 -0.389 . . . . 0.0 110.922 -174.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 m -144.95 130.99 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -158.8 167.57 29.12 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 122.128 -0.358 . . . . 0.0 110.363 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -60.62 152.27 26.8 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 169.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.91 -23.13 67.22 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.927 0.785 . . . . 0.0 111.576 -178.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -73.12 -30.98 64.02 Favored 'General case' 0 CA--C 1.527 0.083 0 O-C-N 121.816 -0.552 . . . . 0.0 110.877 175.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.7 mm -90.32 -22.4 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.0 t80 . . . . . 0 N--CA 1.452 -0.331 0 C-N-CA 122.896 0.478 . . . . 0.0 110.016 175.748 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.437 ' HG2' HD11 ' A' ' 3' ' ' ILE . 10.3 tpp . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.1 tm? -125.63 103.52 7.89 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 172.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.437 HD11 ' HG2' ' A' ' 1' ' ' MET . 4.4 mp -93.18 151.5 3.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 125.043 1.337 . . . . 0.0 110.442 -174.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt -151.28 175.99 11.67 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 124.107 0.963 . . . . 0.0 111.403 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 p -128.77 122.66 31.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 167.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -123.19 136.14 54.62 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.673 0.789 . . . . 0.0 109.512 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -82.96 156.17 23.61 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 176.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.676 HG11 HG12 ' A' ' 25' ' ' VAL . 14.3 m -57.0 133.0 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.26 2.68 65.78 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.323 -0.709 . . . . 0.0 113.43 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -106.18 179.61 4.22 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.336 1.068 . . . . 0.0 110.552 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -137.69 171.38 14.53 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -170.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -152.09 165.49 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 126.93 2.092 . . . . 0.0 107.037 -173.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -140.27 154.75 46.95 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 121.556 -0.715 . . . . 0.0 111.737 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -140.64 140.16 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.83 -136.38 47.76 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 -177.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -136.44 17.49 3.15 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -141.25 6.3 1.92 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.95 0.5 . . . . 0.0 111.544 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.78 147.73 33.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 118.649 0.659 . . . . 0.0 110.38 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -137.7 151.67 48.47 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.7 mm -135.41 149.2 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.9 m -143.96 151.7 40.1 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.64 87.32 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.29 -25.23 68.21 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -168.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.69 -174.53 43.95 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.531 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.676 HG12 HG11 ' A' ' 8' ' ' VAL . 13.8 p -141.67 144.04 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.579 0.752 . . . . 0.0 109.855 -176.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -148.18 71.22 1.16 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.024 0.93 . . . . 0.0 108.676 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.7 -138.61 28.86 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 -175.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -66.11 -17.32 64.63 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.921 -0.561 . . . . 0.0 110.707 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.91 148.63 25.69 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -144.36 133.92 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -176.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -101.69 131.37 47.99 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -129.33 150.21 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.534 -169.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.13 145.8 17.23 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -137.27 144.2 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -144.06 104.51 4.14 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.24 159.55 33.37 Favored Pre-proline 0 N--CA 1.454 -0.253 0 C-N-CA 123.629 0.772 . . . . 0.0 109.858 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -66.93 153.38 78.11 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.501 2.801 . . . . 0.0 110.701 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -64.68 -1.34 1.82 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.072 -0.392 . . . . 0.0 110.213 173.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -66.42 -10.84 47.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.314 1.046 . . . . 0.0 110.301 173.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -138.07 167.99 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 124.582 1.153 . . . . 0.0 107.921 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.61 154.69 36.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.14 -0.35 . . . . 0.0 110.68 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -145.06 128.09 10.89 Favored 'Isoleucine or valine' 0 C--O 1.229 0.026 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -157.57 163.24 38.55 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.865 0.364 . . . . 0.0 111.054 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -64.23 156.13 29.7 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 169.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -58.59 -30.33 67.12 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.374 -0.204 . . . . 0.0 111.544 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -72.05 -42.18 66.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.956 -0.465 . . . . 0.0 111.618 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.81 -27.3 16.62 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.095 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.6 t80 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.605 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mmm . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 121.038 0.447 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -135.92 114.41 11.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 168.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -113.42 142.14 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 C-N-CA 123.324 0.65 . . . . 0.0 109.742 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -161.85 171.1 18.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.923 0.489 . . . . 0.0 110.674 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.4 p -104.95 157.94 16.88 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.601 0.715 . . . . 0.0 110.726 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 4.8 tpm_? -147.09 164.14 34.04 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -124.48 157.39 35.38 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.527 0.603 . . . . 0.0 110.157 172.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -53.05 126.6 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.451 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.28 8.93 54.52 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-O 119.488 -0.618 . . . . 0.0 112.926 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -116.19 177.84 4.54 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.203 1.001 . . . . 0.0 110.016 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -138.82 168.84 18.93 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -171.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -144.02 164.25 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.193 1.797 . . . . 0.0 106.695 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -137.67 151.52 48.35 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 121.723 -0.611 . . . . 0.0 110.811 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -145.77 142.51 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.471 0.708 . . . . 0.0 110.24 -177.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.1 13.96 7.56 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.129 0.871 . . . . 0.0 114.592 172.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 55.62 12.17 0.76 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.49 1.116 . . . . 0.0 113.731 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -139.48 5.71 2.25 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.451 0.7 . . . . 0.0 110.635 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -132.17 148.25 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 12.3 m -138.22 154.25 49.1 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.0 mm -133.36 144.74 35.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m -139.07 128.4 24.17 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -84.86 92.42 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 38.4 mt -69.9 -24.05 63.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.511 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.21 -177.52 39.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 177.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -124.17 162.89 24.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 121.651 0.739 . . . . 0.0 110.67 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.4 t -150.88 59.02 0.92 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.32 -132.53 18.74 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -177.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -65.42 -12.33 51.3 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 118.958 -0.544 . . . . 0.0 110.984 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -98.42 147.76 24.39 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.9 t -135.92 130.91 49.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 -177.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -93.17 127.56 38.78 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -135.39 155.27 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -171.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.66 158.1 22.4 Favored Glycine 0 C--N 1.333 0.4 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 1' ' ' MET . 61.2 mt -135.86 144.59 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -139.23 110.67 7.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.26 160.1 31.85 Favored Pre-proline 0 N--CA 1.45 -0.462 0 C-N-CA 123.49 0.716 . . . . 0.0 109.58 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.81 153.29 78.76 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.031 2.487 . . . . 0.0 109.981 173.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -67.42 -0.35 3.61 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 122.113 -0.367 . . . . 0.0 110.024 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.38 -11.98 54.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.591 1.156 . . . . 0.0 109.962 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 m -139.01 169.61 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.559 1.144 . . . . 0.0 108.354 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.6 158.1 29.31 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.493 0.187 . . . . 0.0 110.861 -175.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -145.47 130.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.34 0.169 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -156.86 164.13 38.41 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 118.024 0.374 . . . . 0.0 110.558 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -64.04 156.22 28.8 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 171.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -60.5 -24.0 64.96 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.254 -0.279 . . . . 0.0 111.457 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -68.82 -50.7 47.9 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.848 -0.532 . . . . 0.0 110.491 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.0 -27.97 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -173.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 73.7 t80 . . . . . 0 N--CA 1.45 -0.474 0 C-N-CA 122.649 0.38 . . . . 0.0 110.697 179.786 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 ttp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 119.71 -0.186 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -119.43 125.46 49.01 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -125.8 144.36 36.15 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 123.244 0.618 . . . . 0.0 110.137 -170.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.39 168.66 24.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.716 0.806 . . . . 0.0 109.389 174.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.7 p -104.31 157.34 17.21 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.868 174.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 2.4 tpm_? -147.39 139.15 24.12 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.245 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -86.0 156.32 20.49 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -58.45 133.79 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.084 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.16 4.99 60.97 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.411 -0.661 . . . . 0.0 112.857 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -114.46 177.59 4.59 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.248 1.024 . . . . 0.0 110.401 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -137.26 171.29 14.71 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -169.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.4 mt -144.7 166.76 11.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 126.589 1.956 . . . . 0.0 106.727 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -142.34 154.26 44.52 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 121.568 -0.708 . . . . 0.0 112.119 -176.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.8 mt -146.5 151.08 14.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 C-N-CA 123.815 0.846 . . . . 0.0 110.2 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 15.19 9.72 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.457 1.027 . . . . 0.0 114.9 169.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 55.96 12.01 0.83 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.225 1.01 . . . . 0.0 113.581 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -144.74 8.02 1.28 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.543 0.737 . . . . 0.0 111.157 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.22 149.82 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-O 121.447 0.641 . . . . 0.0 109.659 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -137.07 150.31 47.96 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.5 mm -132.91 146.5 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -143.22 126.7 16.82 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -80.25 89.39 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.64 -29.79 70.8 Favored 'General case' 0 C--N 1.338 0.083 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.513 -171.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.38 -178.54 40.85 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.5 m -129.98 161.58 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-O 121.094 0.473 . . . . 0.0 110.769 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -150.3 73.16 1.13 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.02 -137.89 26.01 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -175.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -66.23 -14.26 61.66 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.124 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -83.03 151.62 25.74 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 118.741 0.701 . . . . 0.0 109.162 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.6 t -142.97 127.89 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.0 ttm-85 -96.3 132.69 41.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -132.85 147.21 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -170.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.13 149.87 18.72 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.3 mt -138.26 144.08 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.414 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -144.65 106.11 4.24 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.68 158.07 37.9 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.468 0.707 . . . . 0.0 109.547 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.8 151.25 86.41 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 123.05 2.5 . . . . 0.0 110.305 175.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -64.76 -7.14 9.79 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.049 -0.407 . . . . 0.0 110.661 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.75 -7.2 19.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.119 0.968 . . . . 0.0 110.928 174.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.89 169.03 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.36 155.73 30.18 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.99 -0.444 . . . . 0.0 111.23 -173.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.4 m -146.33 126.6 6.06 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -158.3 169.89 23.47 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 121.776 -0.577 . . . . 0.0 111.534 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.456 ' HA ' HD13 ' C' ' 12' ' ' ILE . 34.4 mtm180 -68.49 153.09 44.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 170.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -58.71 -28.8 66.14 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.724 0.41 . . . . 0.0 111.54 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.54 -43.24 77.09 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.55 0.34 . . . . 0.0 110.897 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -75.81 -27.63 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -176.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.9 t80 . . . . . 0 N--CA 1.453 -0.304 0 C-N-CA 123.327 0.651 . . . . 0.0 111.413 -179.01 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.7 mmm . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.851 0.358 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.88 114.27 11.65 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 168.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -114.1 143.92 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.71 0.804 . . . . 0.0 110.223 -172.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -164.84 -178.66 5.36 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.177 0.591 . . . . 0.0 110.56 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.9 p -121.11 157.32 30.38 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.345 0.593 . . . . 0.0 111.561 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.421 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.2 OUTLIER -146.61 165.3 29.92 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.029 1.732 . . . . 0.0 107.594 176.625 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -117.92 161.53 19.61 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 170.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.507 HG11 HG12 ' C' ' 25' ' ' VAL . 27.7 m -49.8 130.22 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 O-C-N 123.047 0.217 . . . . 0.0 110.972 178.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.19 6.94 59.83 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 119.482 -0.621 . . . . 0.0 113.042 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -111.84 175.34 5.47 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.106 0.953 . . . . 0.0 110.409 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -139.28 168.61 19.45 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 44' ' ' ARG . 37.4 mm -140.39 163.01 23.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 126.565 1.946 . . . . 0.0 106.428 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -132.91 153.47 51.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.559 0.618 . . . . 0.0 111.1 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.2 mt -140.11 138.89 37.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.55 -133.15 51.88 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -176.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -138.31 16.85 2.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.198 0.599 . . . . 0.0 110.224 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -141.33 6.92 1.94 Allowed 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.732 0.813 . . . . 0.0 111.75 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.17 145.66 35.05 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 CA-C-N 118.918 0.781 . . . . 0.0 110.351 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 20.2 m -139.77 155.7 47.16 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.9 mm -136.36 148.08 27.48 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.3 m -144.14 131.16 20.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -81.99 97.41 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -72.52 -28.58 62.96 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -171.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.6 177.76 42.22 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 121.748 -0.263 . . . . 0.0 112.844 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.507 HG12 HG11 ' C' ' 8' ' ' VAL . 13.8 p -142.01 139.76 30.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.454 0.701 . . . . 0.0 110.509 -178.37 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.5 m -151.08 118.36 5.98 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.83 -144.48 34.67 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -173.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -79.36 -4.97 53.47 Favored 'General case' 0 N--CA 1.458 -0.069 0 CA-C-N 117.359 0.579 . . . . 0.0 111.856 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -88.29 143.44 27.03 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.339 0.59 . . . . 0.0 109.679 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 34.9 t -133.93 121.28 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.574 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -87.09 127.18 35.13 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -132.63 152.55 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -172.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.09 154.86 17.2 Favored Glycine 0 C--N 1.335 0.506 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.5 mt -138.29 136.7 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -137.24 103.05 4.99 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -172.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.68 161.66 28.94 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 123.765 0.826 . . . . 0.0 109.721 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -66.82 154.7 73.63 Favored 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.113 2.542 . . . . 0.0 110.238 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -67.32 -0.2 3.37 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 122.016 -0.427 . . . . 0.0 110.395 173.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -66.57 -10.8 48.97 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.472 1.109 . . . . 0.0 110.454 173.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -137.16 169.1 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.557 1.143 . . . . 0.0 108.274 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.15 156.01 34.57 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.535 0.207 . . . . 0.0 110.955 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.3 133.99 19.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -154.06 159.91 41.76 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.388 0.613 . . . . 0.0 111.541 176.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -61.17 144.87 52.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.22 -23.94 62.73 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -172.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.23 -23.07 47.56 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.823 -0.548 . . . . 0.0 111.542 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.9 -28.75 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.194 0.598 . . . . 0.0 109.443 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 79.0 t80 . . . . . 0 N--CA 1.451 -0.398 0 C-N-CA 124.426 1.091 . . . . 0.0 111.527 -176.376 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mmm . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 119.92 -0.086 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -128.91 112.93 14.61 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.5 mp -107.06 149.84 10.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 124.392 1.077 . . . . 0.0 110.124 -171.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt -149.47 177.92 9.27 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 124.117 0.967 . . . . 0.0 111.161 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -127.35 120.03 27.59 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 167.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.421 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 9.4 mmp_? -117.19 164.0 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.082 172.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -110.8 152.99 25.99 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.1 m -56.79 116.63 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.203 0.525 . . . . 0.0 110.146 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.18 -17.71 19.17 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.805 0.717 . . . . 0.0 112.186 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -79.51 174.34 11.68 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 117.6 0.7 . . . . 0.0 111.063 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.5 m -139.02 165.47 27.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.255 0.55 . . . . 0.0 111.512 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' C' ' 44' ' ' ARG . 32.4 mm -143.29 161.09 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.966 1.706 . . . . 0.0 107.156 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -135.37 155.76 50.06 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.381 0.61 . . . . 0.0 111.354 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.3 mt -141.04 147.7 22.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 114.481 -1.236 . . . . 0.0 108.786 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.7 -136.49 47.32 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -133.16 12.32 4.24 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -146.28 11.54 1.17 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.557 0.743 . . . . 0.0 112.132 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.96 146.19 34.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 119.026 0.83 . . . . 0.0 110.681 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.8 m -139.8 155.52 47.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.161 0.985 . . . . 0.0 108.352 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -137.09 148.59 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -177.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -143.44 129.73 19.87 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -83.97 100.52 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -74.6 -26.89 60.21 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -171.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.96 -176.84 39.93 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.638 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.93 162.25 36.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 121.062 0.458 . . . . 0.0 110.866 177.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -150.97 68.78 0.95 Allowed 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.37 -135.88 22.89 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.65 -16.29 63.59 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 118.677 -0.678 . . . . 0.0 110.536 177.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.433 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 3.3 tp-100 -82.76 147.73 28.25 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 118.802 0.728 . . . . 0.0 109.301 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -141.19 121.53 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -91.56 130.35 37.39 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -134.08 155.26 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -172.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.65 156.45 20.56 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.199 -1.16 . . . . 0.0 110.199 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.2 mt -135.57 144.53 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -139.84 107.75 5.69 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.38 161.8 28.3 Favored Pre-proline 0 N--CA 1.452 -0.351 0 C-N-CA 123.651 0.78 . . . . 0.0 108.997 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.88 154.27 74.63 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.794 2.329 . . . . 0.0 110.129 174.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -68.94 0.19 4.78 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 121.971 -0.456 . . . . 0.0 109.86 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.32 -9.95 38.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.371 1.069 . . . . 0.0 110.625 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -136.1 169.55 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.513 1.125 . . . . 0.0 108.787 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.27 154.64 31.94 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.273 -0.267 . . . . 0.0 110.863 -176.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -144.86 132.95 16.99 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -156.58 160.84 39.82 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.793 0.33 . . . . 0.0 110.472 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -64.01 149.65 46.96 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 170.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -58.25 -23.68 56.85 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.79 -32.96 70.22 Favored 'General case' 0 N--CA 1.457 -0.095 0 O-C-N 121.978 -0.451 . . . . 0.0 111.114 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -90.33 -34.63 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 C-N-CA 122.723 0.409 . . . . 0.0 109.958 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 . . . . . 0 C--N 1.332 -0.185 0 C-N-CA 123.858 0.863 . . . . 0.0 111.874 -176.483 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.505 ' HG2' HD11 ' C' ' 3' ' ' ILE . 13.7 tpp . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 120.439 0.161 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.2 tm? -126.83 106.77 9.57 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 171.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.505 HD11 ' HG2' ' C' ' 1' ' ' MET . 5.0 mp -100.6 142.28 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 124.114 0.966 . . . . 0.0 110.428 -175.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.59 170.05 20.52 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.19 0.596 . . . . 0.0 110.706 175.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -105.59 157.99 17.01 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.266 0.555 . . . . 0.0 111.838 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 3.0 tpm_? -147.95 164.17 34.57 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.724 1.21 . . . . 0.0 108.004 174.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.433 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 39.1 mtmt -121.87 161.31 23.0 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 118.504 0.593 . . . . 0.0 110.196 174.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.521 HG11 HG12 ' C' ' 25' ' ' VAL . 35.0 m -51.94 133.29 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.335 -176.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.23 4.98 66.03 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 119.414 -0.659 . . . . 0.0 113.301 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -114.12 -177.86 3.23 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.432 1.116 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 20.0 m -139.16 171.56 14.12 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -171.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.401 HG22 ' N ' ' C' ' 13' ' ' ASN . 62.8 mt -144.43 166.56 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 126.635 1.974 . . . . 0.0 106.827 -179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 13' ' ' ASN . . . . . 0.401 ' N ' HG22 ' C' ' 12' ' ' ILE . 22.1 m120 -140.67 153.12 45.86 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.722 0.692 . . . . 0.0 112.452 -176.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -148.12 149.29 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.23 1.012 . . . . 0.0 110.093 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.69 14.72 5.42 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.652 1.12 . . . . 0.0 115.354 170.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 55.1 11.77 0.56 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -143.13 8.91 1.66 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.615 0.766 . . . . 0.0 110.543 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.37 148.63 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.1 m -136.92 149.61 47.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.1 mm -130.29 148.96 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -140.37 149.6 42.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -175.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -111.53 84.78 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.61 -23.5 67.28 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.154 -170.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.26 179.23 41.64 Favored Glycine 0 C--N 1.335 0.498 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.521 HG12 HG11 ' C' ' 8' ' ' VAL . 11.6 p -132.38 144.97 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -147.2 66.58 1.14 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.1 0.96 . . . . 0.0 108.585 -174.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.18 -138.44 26.63 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.95 -10.05 35.56 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.162 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -102.2 148.09 25.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 119.235 0.925 . . . . 0.0 109.37 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.8 t -138.99 128.86 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -175.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -90.4 126.43 35.88 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -128.73 152.26 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.545 -169.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.94 153.46 16.78 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -139.97 140.85 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -144.4 104.6 4.1 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.37 159.68 41.26 Favored Pre-proline 0 N--CA 1.453 -0.315 0 C-N-CA 124.118 0.967 . . . . 0.0 109.222 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -63.83 150.25 88.85 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 122.553 2.169 . . . . 0.0 110.131 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -68.7 -1.12 6.23 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.243 -0.285 . . . . 0.0 110.343 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -67.74 -8.13 32.97 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.018 0.927 . . . . 0.0 110.914 171.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -135.55 169.3 21.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 176.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.52 160.25 27.39 Favored 'General case' 0 N--CA 1.457 -0.083 0 O-C-N 122.045 -0.41 . . . . 0.0 111.133 -173.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 m -144.02 134.39 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -157.15 168.24 28.01 Favored 'General case' 0 N--CA 1.46 0.061 0 CA-C-N 117.836 0.289 . . . . 0.0 110.437 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.472 ' HA ' HD13 ' A' ' 12' ' ' ILE . 77.3 ttt180 -67.02 154.4 41.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 172.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -56.54 -23.97 43.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.271 0.628 . . . . 0.0 111.994 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.26 -47.45 23.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.635 0.255 . . . . 0.0 110.753 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 mm -71.02 -30.59 41.97 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.073 0 O-C-N 122.016 -0.428 . . . . 0.0 109.968 -176.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 83.1 t80 . . . . . 0 N--CA 1.452 -0.366 0 C-N-CA 124.17 0.988 . . . . 0.0 112.008 -176.575 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.559 ' HG2' HD11 ' A' ' 3' ' ' ILE . 16.0 tpp . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.189 0.042 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.1 tm? -127.41 104.92 8.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 171.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.559 HD11 ' HG2' ' A' ' 1' ' ' MET . 4.7 mp -96.35 151.15 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.465 1.106 . . . . 0.0 110.172 -174.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.2 mt -149.82 175.34 11.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.065 0.946 . . . . 0.0 111.612 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -127.35 122.02 32.57 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 168.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -122.31 140.99 52.0 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -84.98 151.82 23.92 Favored 'General case' 0 CA--C 1.522 -0.104 0 C-N-CA 122.84 0.456 . . . . 0.0 110.142 176.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.665 HG11 HG12 ' A' ' 25' ' ' VAL . 14.1 m -56.55 125.72 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.82 3.7 45.85 Favored Glycine 0 CA--C 1.531 1.054 0 CA-C-O 119.46 -0.633 . . . . 0.0 113.351 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -116.12 -176.51 2.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.364 1.082 . . . . 0.0 110.985 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.9 m -138.76 170.66 15.59 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -172.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.0 mm -144.02 166.63 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.92 2.088 . . . . 0.0 106.955 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -135.49 153.8 51.62 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 119.071 0.851 . . . . 0.0 112.062 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -140.34 143.38 29.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.295 1.038 . . . . 0.0 108.718 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.95 -137.29 44.24 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -175.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -135.12 15.68 3.51 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -142.73 9.34 1.76 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.493 0.717 . . . . 0.0 111.535 -177.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.52 147.39 32.69 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 CA-C-N 118.628 0.649 . . . . 0.0 109.914 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -139.29 155.24 47.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.9 mm -133.3 148.89 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 m -141.72 149.12 40.09 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.98 84.91 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.668 1.187 . . . . 0.0 107.841 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.75 -24.46 67.57 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 -169.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.94 -174.41 44.1 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 120.336 -0.935 . . . . 0.0 113.267 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.665 HG12 HG11 ' A' ' 8' ' ' VAL . 9.6 p -147.19 137.26 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.489 0.716 . . . . 0.0 110.173 -174.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.7 m -151.65 110.64 3.88 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 124.095 0.958 . . . . 0.0 108.562 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.18 -142.2 36.21 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -173.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -72.44 -12.93 61.31 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.103 0.952 . . . . 0.0 110.905 175.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.56 153.78 38.89 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.452 0.644 . . . . 0.0 110.088 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -149.22 117.68 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -84.42 133.95 34.48 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -132.78 155.01 40.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -170.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.41 149.82 18.38 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' C' ' 1' ' ' MET . 72.9 mt -137.86 144.18 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -144.29 104.31 4.08 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -174.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.29 160.75 30.56 Favored Pre-proline 0 N--CA 1.451 -0.402 0 C-N-CA 123.604 0.762 . . . . 0.0 109.834 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -66.57 157.03 62.75 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.392 2.728 . . . . 0.0 110.398 174.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -67.95 -0.13 4.06 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.014 0.435 . . . . 0.0 110.404 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.52 -9.2 32.37 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.269 1.028 . . . . 0.0 110.205 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -137.88 169.29 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.03 156.37 36.63 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 122.11 -0.369 . . . . 0.0 110.756 -174.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.76 129.12 10.48 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -155.37 160.78 40.97 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 122.142 -0.348 . . . . 0.0 111.155 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.6 tpt85 -57.43 145.31 33.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 171.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -58.22 -32.0 67.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.063 0.392 . . . . 0.0 111.658 -176.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -71.93 -38.77 69.8 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.256 -0.277 . . . . 0.0 110.748 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.47 -31.73 43.93 Favored 'Isoleucine or valine' 0 C--O 1.23 0.079 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.6 t80 . . . . . 0 N--CA 1.451 -0.381 0 C-N-CA 123.232 0.613 . . . . 0.0 111.045 -178.899 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.405 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.34 118.12 16.14 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -110.53 149.32 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.368 0.667 . . . . 0.0 109.541 -171.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -150.65 177.98 9.53 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 123.258 0.623 . . . . 0.0 111.518 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.68 125.44 33.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 167.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.579 HH21 HG22 ' C' ' 22' ' ' ILE . 4.6 ttp180 -131.94 174.76 9.83 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.52 171.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -140.99 167.0 23.24 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.961 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 m -51.9 135.83 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 O-C-N 123.82 0.7 . . . . 0.0 112.464 -168.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.24 -5.2 74.83 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.351 -0.694 . . . . 0.0 113.701 176.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -96.91 177.36 5.65 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.387 1.093 . . . . 0.0 111.533 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -143.5 166.61 24.33 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 17.0 mt -143.16 162.83 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 126.261 1.824 . . . . 0.0 108.37 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -127.26 149.34 50.05 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.045 0.384 . . . . 0.0 110.712 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -145.14 144.59 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 123.236 0.615 . . . . 0.0 110.413 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.4 12.95 6.68 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 124.177 0.894 . . . . 0.0 114.513 172.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t70 55.62 12.72 0.85 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.294 1.038 . . . . 0.0 113.39 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -142.18 6.71 1.75 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.388 0.675 . . . . 0.0 110.619 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.5 148.45 30.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -138.54 153.22 48.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -132.65 144.07 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -176.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -135.73 148.0 48.67 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.579 HG22 HH21 ' C' ' 6' ' ' ARG . 1.6 tp -106.18 89.59 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 -178.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.1 -23.48 65.84 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.241 -167.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.77 179.43 36.43 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.939 -0.465 . . . . 0.0 111.939 175.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -121.71 162.8 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-O 121.371 0.605 . . . . 0.0 110.652 175.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -151.53 59.93 0.88 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.501 1.12 . . . . 0.0 108.067 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.42 -134.55 19.6 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.52 -11.1 40.55 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.077 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -100.25 147.62 25.55 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.068 0.849 . . . . 0.0 109.123 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -137.33 130.65 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -94.36 126.85 39.87 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -133.16 154.72 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -171.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.1 154.99 20.53 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.8 mt -136.7 144.98 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -141.57 109.74 5.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.2 160.63 31.64 Favored Pre-proline 0 N--CA 1.454 -0.245 0 C-N-CA 123.604 0.762 . . . . 0.0 109.537 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.05 154.38 74.75 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.115 2.543 . . . . 0.0 110.521 173.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.57 -0.55 3.96 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-O 120.887 0.375 . . . . 0.0 110.623 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.49 -11.7 53.76 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.378 1.071 . . . . 0.0 110.119 173.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.69 169.47 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.682 1.193 . . . . 0.0 108.36 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.21 160.68 23.34 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 122.317 -0.24 . . . . 0.0 111.537 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -147.83 132.61 10.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 176.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -152.83 164.08 38.52 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-O 120.917 0.389 . . . . 0.0 111.225 176.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -62.48 148.38 45.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 170.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -60.29 -31.88 70.67 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.027 0.376 . . . . 0.0 110.737 -176.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.09 -42.56 80.17 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.09 0.556 . . . . 0.0 110.413 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.36 -38.2 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 C-N-CA 122.868 0.467 . . . . 0.0 109.9 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.2 t80 . . . . . 0 N--CA 1.453 -0.304 0 C-N-CA 124.11 0.964 . . . . 0.0 111.715 -175.48 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 mmm . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 120.985 0.422 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -135.49 114.26 11.93 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 168.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.95 141.88 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.469 0.708 . . . . 0.0 110.008 -173.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -162.37 178.86 8.29 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.011 0.524 . . . . 0.0 110.802 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -115.07 157.56 23.35 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.292 0.568 . . . . 0.0 110.468 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.449 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.1 tpm_? -148.4 164.54 33.8 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -124.39 159.49 30.28 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.4 m -57.36 141.14 14.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.543 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.05 -9.18 78.47 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.363 0.506 . . . . 0.0 112.926 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -90.1 -176.13 4.77 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 118.035 0.918 . . . . 0.0 111.02 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -140.75 171.32 14.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.322 0.582 . . . . 0.0 112.065 -174.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mt -154.22 164.14 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.962 2.105 . . . . 0.0 107.184 -171.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -143.54 156.56 44.64 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.59 -0.694 . . . . 0.0 112.215 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -140.91 148.04 22.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 124.134 0.974 . . . . 0.0 108.6 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.24 -139.4 34.15 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -130.74 11.79 5.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.256 0.622 . . . . 0.0 109.96 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -144.07 11.81 1.58 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.516 0.726 . . . . 0.0 111.204 -177.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.66 147.16 33.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.727 0.694 . . . . 0.0 110.403 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.3 m -137.58 153.55 49.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.391 1.076 . . . . 0.0 108.153 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.9 mm -136.89 148.13 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -138.87 148.44 43.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -107.96 86.73 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.29 -24.35 66.54 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.624 -169.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.14 -175.81 38.59 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 118.369 0.531 . . . . 0.0 112.732 175.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.8 m -131.85 165.99 30.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.229 0.538 . . . . 0.0 111.118 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.0 m -151.04 64.37 0.91 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.796 1.239 . . . . 0.0 107.797 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.8 -113.48 3.74 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -81.51 -19.19 42.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.485 ' HG2' ' HE3' ' C' ' 7' ' ' LYS . 9.5 mm-40 -80.08 152.7 29.19 Favored 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 123.707 0.629 . . . . 0.0 110.237 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.2 t -145.81 119.49 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -89.33 128.14 35.86 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -128.3 154.94 39.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -171.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.15 154.35 20.52 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.934 -1.267 . . . . 0.0 109.934 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.3 mt -139.37 144.46 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -177.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -142.9 107.98 4.95 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.92 160.98 30.75 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 123.986 0.915 . . . . 0.0 108.881 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.69 153.84 75.5 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.687 2.258 . . . . 0.0 110.061 174.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -71.78 -0.88 12.18 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.914 -0.491 . . . . 0.0 110.48 176.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -68.66 -6.76 27.83 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.998 0.919 . . . . 0.0 110.35 171.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -135.94 167.49 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.8 158.8 32.48 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.315 -0.241 . . . . 0.0 110.96 -174.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.0 m -144.91 129.84 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -177.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -157.68 160.99 38.55 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.871 -0.518 . . . . 0.0 110.12 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -63.62 156.83 25.52 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.41 -24.05 66.25 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -71.88 -51.81 20.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.766 -0.584 . . . . 0.0 109.876 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.85 -28.97 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 122.868 0.467 . . . . 0.0 109.951 -176.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.7 t80 . . . . . 0 N--CA 1.45 -0.453 0 C-N-CA 122.884 0.473 . . . . 0.0 111.07 -179.75 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.46 ' HG2' HD11 ' C' ' 3' ' ' ILE . 1.7 ttp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.697 0.284 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.1 tm? -116.1 119.8 37.01 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 176.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.46 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.5 mp -115.32 142.2 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.046 0.938 . . . . 0.0 109.8 -173.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -161.1 169.65 21.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.192 174.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.2 p -98.31 153.36 18.59 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.384 0.611 . . . . 0.0 110.009 177.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.644 HH22 ' HB ' ' C' ' 22' ' ' ILE . 7.4 mmm-85 -147.29 155.95 42.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.268 1.427 . . . . 0.0 107.551 178.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.485 ' HE3' ' HG2' ' A' ' 29' ' ' GLN . 59.9 mttp -123.01 162.62 22.0 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.385 0.612 . . . . 0.0 111.399 175.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.683 HG11 HG12 ' C' ' 25' ' ' VAL . 15.5 m -51.16 114.53 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 114.611 -1.177 . . . . 0.0 112.05 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 9' ' ' GLY . . . . . 0.544 ' H ' HG22 ' C' ' 22' ' ' ILE . . . 111.52 -24.11 16.28 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.349 0.5 . . . . 0.0 113.376 173.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 10' ' ' GLU . . . . . 0.56 ' HB2' HH21 ' C' ' 6' ' ' ARG . 92.5 mt-10 -73.43 -175.75 2.05 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 117.542 0.671 . . . . 0.0 110.806 177.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -143.98 176.09 9.54 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -174.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.554 ' CG1' HH11 ' C' ' 6' ' ' ARG . 4.9 mt -149.62 169.84 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 126.149 1.78 . . . . 0.0 107.889 -176.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 13' ' ' ASN . . . . . 0.405 ' H ' HG22 ' C' ' 12' ' ' ILE . 23.8 m120 -142.98 151.34 40.78 Favored 'General case' 0 C--N 1.337 0.048 0 C-N-CA 123.138 0.575 . . . . 0.0 110.595 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -147.78 146.02 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.177 0.591 . . . . 0.0 109.954 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.75 14.82 7.91 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.989 0.804 . . . . 0.0 114.864 171.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 56.75 10.92 0.8 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -139.29 7.22 2.38 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.57 0.623 . . . . 0.0 110.474 175.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.23 146.74 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 62.2 m -135.09 146.93 49.36 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -131.33 148.91 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.0 m -140.75 149.34 41.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.644 ' HB ' HH22 ' C' ' 6' ' ' ARG . 0.4 OUTLIER -112.28 118.67 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -92.06 -22.09 20.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.242 -168.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.64 -175.35 39.86 Favored Glycine 0 C--N 1.337 0.634 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.669 172.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.683 HG12 HG11 ' C' ' 8' ' ' VAL . 11.5 p -140.84 139.84 33.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 122.955 0.502 . . . . 0.0 110.904 -175.101 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.2 m -151.3 113.98 4.66 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.92 -142.65 34.49 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -172.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -78.69 -6.38 55.61 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 117.812 0.806 . . . . 0.0 111.733 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.49 151.87 32.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -146.78 119.64 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -176.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -89.05 136.06 33.22 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -135.65 152.59 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.148 0.579 . . . . 0.0 109.833 -170.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.23 148.97 17.4 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.051 -1.619 . . . . 0.0 109.051 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.4 mt -138.81 144.4 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -144.35 104.46 4.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.6 158.89 39.64 Favored Pre-proline 0 C--O 1.233 0.234 0 C-N-CA 123.717 0.807 . . . . 0.0 109.655 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.0 153.68 77.12 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.008 2.472 . . . . 0.0 110.686 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -70.17 -1.58 10.59 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.947 -0.471 . . . . 0.0 110.851 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -68.58 -8.57 42.9 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.945 0.898 . . . . 0.0 110.436 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -137.72 169.22 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 176.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.7 159.88 24.44 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.821 -0.55 . . . . 0.0 111.104 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.0 m -146.03 130.24 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -158.78 163.2 36.95 Favored 'General case' 0 CA--C 1.522 -0.098 0 O-C-N 122.125 -0.359 . . . . 0.0 110.575 175.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -65.72 158.1 28.39 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 168.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.54 -23.64 58.77 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -174.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -66.29 -48.07 71.57 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.149 -0.344 . . . . 0.0 111.069 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.4 mm -79.87 -26.81 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -174.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 t80 . . . . . 0 N--CA 1.452 -0.36 0 C-N-CA 122.739 0.416 . . . . 0.0 111.341 -179.314 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 mmm . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 120.707 0.289 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -135.6 114.18 11.77 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 167.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -105.9 150.5 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.524 0.73 . . . . 0.0 110.02 -172.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.93 163.75 39.2 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.882 0.873 . . . . 0.0 109.524 -171.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.82 145.04 50.4 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 6.0 mmp_? -145.73 150.41 36.2 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 123.387 0.675 . . . . 0.0 109.551 177.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -89.53 157.22 18.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.653 HG11 HG12 ' A' ' 25' ' ' VAL . 11.8 m -54.13 114.1 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.547 177.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.96 -14.23 24.02 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.595 -0.558 . . . . 0.0 112.852 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -83.15 177.31 8.63 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.192 0.996 . . . . 0.0 111.177 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 m -135.78 167.31 21.41 Favored 'General case' 0 C--N 1.342 0.239 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -171.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -145.28 160.84 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 126.582 1.953 . . . . 0.0 107.139 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -133.99 154.99 50.75 Favored 'General case' 0 C--O 1.23 0.031 0 CA-C-N 118.944 0.793 . . . . 0.0 111.798 -176.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.1 mt -141.24 142.03 29.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.158 -178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.97 -135.51 43.08 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -135.57 15.07 3.42 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.249 0.62 . . . . 0.0 109.74 176.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -143.17 8.45 1.63 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.972 0.509 . . . . 0.0 111.545 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -132.22 147.84 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 118.713 0.688 . . . . 0.0 110.673 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.2 m -139.43 155.51 47.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -134.93 149.07 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -143.26 155.4 44.49 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -119.15 88.57 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 178.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.0 mt -64.64 -23.5 67.28 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -167.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.52 -177.45 43.67 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 118.787 0.722 . . . . 0.0 112.279 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.653 HG12 HG11 ' A' ' 8' ' ' VAL . 13.8 p -137.43 145.64 29.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 C-N-CA 123.28 0.632 . . . . 0.0 109.672 -174.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -149.88 67.21 0.99 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.943 0.897 . . . . 0.0 108.832 -176.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.63 -136.22 22.94 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -65.72 -17.19 64.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.7 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -88.68 150.17 23.13 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 118.728 0.694 . . . . 0.0 109.458 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.8 t -143.23 129.34 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -89.86 131.09 35.97 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mt -129.83 155.15 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -170.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 150.8 18.02 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 -178.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.5 mt -140.03 143.08 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -144.18 105.85 4.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.852 0.358 . . . . 0.0 110.396 -175.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.02 159.58 33.48 Favored Pre-proline 0 N--CA 1.455 -0.215 0 C-N-CA 123.611 0.764 . . . . 0.0 109.2 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.01 153.29 78.7 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.953 2.435 . . . . 0.0 110.686 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -64.13 -0.8 1.29 Allowed 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.25 -0.281 . . . . 0.0 110.78 173.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.62 -9.95 40.88 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.366 1.066 . . . . 0.0 110.311 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -137.8 169.05 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 124.342 1.057 . . . . 0.0 108.301 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.49 157.22 29.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.96 -0.463 . . . . 0.0 111.369 -175.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.8 m -146.95 135.76 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -152.59 163.82 38.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -59.44 141.9 53.61 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 169.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -59.78 -23.56 63.37 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.245 0.475 . . . . 0.0 111.943 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.11 -21.49 43.2 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.657 0.383 . . . . 0.0 110.757 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.77 -32.76 5.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 124.047 0.939 . . . . 0.0 109.739 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.7 t80 . . . . . 0 N--CA 1.451 -0.403 0 C-N-CA 123.29 0.636 . . . . 0.0 111.477 -176.07 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmm . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 119.858 -0.115 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -130.93 112.51 13.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.4 ' N ' HD12 ' C' ' 3' ' ' ILE . 4.4 mp -106.81 148.51 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.249 1.019 . . . . 0.0 108.967 -171.153 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -149.63 179.16 8.21 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.407 0.683 . . . . 0.0 110.828 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -133.13 124.88 28.33 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 167.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.427 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.6 OUTLIER -124.74 164.64 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.248 1.019 . . . . 0.0 108.501 171.806 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -110.92 157.32 20.01 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.751 0.31 . . . . 0.0 110.698 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.59 HG11 HG12 ' C' ' 25' ' ' VAL . 17.0 m -53.2 114.56 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.026 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.88 -16.23 16.07 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 123.983 0.802 . . . . 0.0 111.943 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -84.63 179.14 7.44 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.791 0.795 . . . . 0.0 111.2 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -141.26 170.08 16.4 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.346 0.593 . . . . 0.0 112.277 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mm -144.65 164.67 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 126.843 2.057 . . . . 0.0 107.009 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -139.43 154.71 47.83 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.542 0.61 . . . . 0.0 111.889 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -139.82 144.38 28.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 124.192 0.997 . . . . 0.0 108.962 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.35 -135.46 44.56 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -136.75 17.22 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.221 0.609 . . . . 0.0 110.034 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -142.44 8.59 1.79 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.295 0.638 . . . . 0.0 111.493 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.13 147.13 33.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.198 0 CA-C-N 118.723 0.692 . . . . 0.0 110.412 -178.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -138.58 153.17 48.66 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.92 0.888 . . . . 0.0 108.61 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -134.6 149.23 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.8 m -143.21 151.89 41.13 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -110.37 87.82 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.36 -26.39 67.25 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -168.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.18 -173.57 44.77 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.706 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.59 HG12 HG11 ' C' ' 8' ' ' VAL . 6.6 p -140.73 144.58 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.352 0.661 . . . . 0.0 109.382 -175.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -151.09 75.37 1.19 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.88 -142.02 34.04 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -67.06 -7.14 20.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 118.636 -0.697 . . . . 0.0 110.956 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -101.15 150.12 23.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 119.087 0.858 . . . . 0.0 109.328 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -136.54 140.39 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -104.11 132.1 50.71 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -130.04 151.94 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -169.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.79 150.24 17.08 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -177.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -138.74 144.2 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -144.74 106.03 4.22 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.53 158.9 35.45 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.749 0.82 . . . . 0.0 109.802 -177.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.83 154.07 75.49 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.833 2.355 . . . . 0.0 110.392 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -70.62 -0.7 9.21 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.12 -0.363 . . . . 0.0 110.592 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.77 -7.07 36.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.798 0.839 . . . . 0.0 110.618 172.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -136.7 169.24 20.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.923 0.889 . . . . 0.0 108.819 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.25 156.59 29.66 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -173.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 m -148.02 134.11 12.22 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -159.67 166.01 31.47 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.59 0.709 . . . . 0.0 111.727 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -58.89 148.04 31.68 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 168.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -56.64 -31.66 64.57 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 122.229 -0.294 . . . . 0.0 111.719 -174.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.29 -35.91 47.3 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.952 -0.467 . . . . 0.0 111.261 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -72.88 -34.52 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 34.9 t80 . . . . . 0 N--CA 1.453 -0.307 0 C-N-CA 123.749 0.819 . . . . 0.0 111.628 -179.644 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.598 ' HG2' HD11 ' A' ' 3' ' ' ILE . 7.2 tpp . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 120.398 0.142 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.2 tm? -126.57 111.18 14.06 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 171.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.598 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.1 mp -106.13 143.29 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.02 0.928 . . . . 0.0 110.362 -175.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -161.41 173.21 15.24 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.116 0.566 . . . . 0.0 110.919 173.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -109.91 155.15 22.09 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.158 0.504 . . . . 0.0 110.989 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -145.34 166.89 24.26 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.83 1.252 . . . . 0.0 109.304 176.23 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -115.51 153.57 30.91 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -57.74 127.49 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.77 7.2 53.68 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.617 -0.546 . . . . 0.0 112.791 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -118.3 178.62 4.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.056 0.928 . . . . 0.0 110.939 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.4 m -139.74 170.45 15.87 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -170.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' C' ' 44' ' ' ARG . 37.9 mm -141.15 163.6 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 127.059 2.144 . . . . 0.0 107.15 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -134.75 151.65 51.14 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.8 0.727 . . . . 0.0 111.27 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -145.95 144.38 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.565 0.746 . . . . 0.0 110.257 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.39 12.82 9.36 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.193 0.901 . . . . 0.0 114.627 171.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 57.13 10.51 0.84 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.245 1.018 . . . . 0.0 113.608 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -141.27 7.67 1.99 Allowed 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.559 0.744 . . . . 0.0 110.843 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.39 145.3 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -138.84 152.63 48.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -132.34 144.8 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -139.18 120.82 15.22 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.432 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.6 tp -75.43 99.85 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 174.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.7 mt -73.83 -27.47 61.12 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 122.172 -0.33 . . . . 0.0 111.78 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.04 -179.09 39.16 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 m -120.2 163.33 17.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-O 121.193 0.52 . . . . 0.0 111.016 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -151.44 60.07 0.89 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.63 -133.76 16.37 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -177.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.58 -18.01 65.0 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.422 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -87.73 148.57 24.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.1 t -140.01 125.39 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -88.35 130.18 35.21 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -137.69 154.59 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -172.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.61 157.99 19.82 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.7 mt -138.1 144.66 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -139.78 111.52 7.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.71 158.34 34.15 Favored Pre-proline 0 N--CA 1.45 -0.439 0 C-N-CA 123.502 0.721 . . . . 0.0 109.626 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.95 152.7 81.42 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.913 2.409 . . . . 0.0 110.38 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -69.99 -0.81 8.13 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 122.093 -0.379 . . . . 0.0 110.733 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -68.08 -8.76 40.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.448 0.699 . . . . 0.0 110.297 171.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.18 169.09 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.295 1.038 . . . . 0.0 108.223 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.36 160.4 30.54 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.59 0.233 . . . . 0.0 111.401 -174.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -143.54 131.36 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -156.18 162.31 40.21 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.505 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 27.7 ttt85 -59.39 150.75 25.48 Favored 'General case' 0 CA--C 1.527 0.064 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 169.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -60.9 -24.35 65.92 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -172.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.505 ' H ' ' HG2' ' A' ' 44' ' ' ARG . 76.0 mm-40 -74.37 -46.92 37.39 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.945 -0.472 . . . . 0.0 110.56 175.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -64.4 -27.89 43.66 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 73.2 t80 -65.19 -38.54 90.81 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.462 0.705 . . . . 0.0 110.686 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -69.63 -18.77 63.62 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.997 -0.44 . . . . 0.0 111.493 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.22 -9.48 59.72 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 122.947 0.499 . . . . 0.0 110.208 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.6 mt -110.52 -43.73 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 122.634 0.374 . . . . 0.0 110.309 -175.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 62.7 mm-40 -69.61 -0.61 7.07 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.84 -16.17 63.58 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.27 14.18 0.06 OUTLIER Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.071 -0.849 . . . . 0.0 114.265 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -151.79 -178.93 7.02 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 118.656 1.228 . . . . 0.0 112.298 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.7 m -147.38 9.22 0.94 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.181 0.593 . . . . 0.0 110.128 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.44 76.68 10.89 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 123.125 0.57 . . . . 0.0 110.488 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -52.42 176.69 0.06 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 125.057 3.838 . . . . 0.0 114.189 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 C--O 1.234 0.266 0 C-N-CA 124.177 0.991 . . . . 0.0 112.061 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.73 -2.97 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C4'-C3'-C2' 99.211 -3.489 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.256 -3.444 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 O4'-C1'-N19 111.657 3.457 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 98.728 -3.972 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C4'-C3'-C2' 99.733 -2.967 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 100.018 -2.682 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.715 -2.985 . 0.623 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . 0.403 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O4'-C1'-N19 111.223 3.023 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . 0.403 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.457 -3.243 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 O4'-C1'-N19 111.503 3.303 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C5'-C4'-C3' 110.85 -3.1 . 0.352 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . 0.401 ' C6 ' ' CE ' ' A' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.419 -2.858 1 C5'-C4'-C3' 105.456 -6.696 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . 0.422 " H5'" HD13 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.422 -2.591 1 P-O3'-C3' 125.577 4.898 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.358 -3.342 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 98.711 -3.989 . 0.673 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 C4'-C3'-C2' 99.228 -3.472 . 0.544 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C4'-C3'-C2' 99.754 -2.946 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 C4'-C3'-C2' 99.709 -2.991 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C4'-C3'-C2' 99.608 -3.092 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.989 -2.711 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.572 ' HG2' HD11 ' C' ' 3' ' ' ILE . 11.1 tpp . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 120.273 0.082 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' C' ' 1' ' ' MET . 2.2 tm? -126.95 108.69 11.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 170.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.572 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.6 mp -97.9 150.95 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 123.959 0.903 . . . . 0.0 109.651 -174.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 82.8 mt -151.48 179.84 8.01 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.142 0.977 . . . . 0.0 111.183 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.3 p -131.8 128.81 39.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 166.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.4 ' HA ' ' CZ ' ' C' ' 6' ' ' ARG . 1.5 tpm_? -131.18 138.71 49.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 173.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -86.77 155.29 20.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.928 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.647 HG11 HG12 ' C' ' 25' ' ' VAL . 18.0 m -54.32 127.15 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.515 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.9 1.45 45.65 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-O 119.44 -0.645 . . . . 0.0 113.074 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -114.56 179.62 3.9 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.73 1.265 . . . . 0.0 111.14 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.5 m -134.44 171.68 13.97 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -171.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mt -147.8 167.66 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 126.262 1.825 . . . . 0.0 106.493 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -136.92 154.15 50.54 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.507 0.594 . . . . 0.0 111.229 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.0 mt -142.05 142.24 28.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 C-N-CA 123.953 0.901 . . . . 0.0 109.127 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.5 -133.32 52.73 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -136.54 11.79 3.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.247 0.619 . . . . 0.0 109.873 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -144.37 10.21 1.45 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.176 0.591 . . . . 0.0 111.966 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.04 145.95 34.86 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 118.818 0.735 . . . . 0.0 110.239 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -137.68 154.55 49.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.4 mm -136.2 148.38 27.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -176.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -141.88 130.1 22.22 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.951 0.405 . . . . 0.0 110.006 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.418 HG22 ' H ' ' C' ' 22' ' ' ILE . 1.7 tp -84.9 87.78 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.71 -28.27 68.94 Favored 'General case' 0 C--N 1.338 0.087 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -168.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.1 -176.26 46.54 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.906 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.647 HG12 HG11 ' C' ' 8' ' ' VAL . 7.3 p -140.64 145.07 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.515 0.726 . . . . 0.0 109.433 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -147.82 60.2 1.13 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.612 1.165 . . . . 0.0 108.726 -175.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.03 -133.92 17.64 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.72 -10.11 33.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.906 -0.568 . . . . 0.0 111.206 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -102.13 148.61 25.19 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 118.567 0.621 . . . . 0.0 109.528 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.3 t -138.25 147.07 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -115.36 130.27 56.84 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.88 153.75 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -169.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.05 155.85 20.47 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 1' ' ' MET . 68.9 mt -137.96 144.56 30.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.7 t-20 -139.83 109.06 6.1 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -178.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.32 160.66 30.68 Favored Pre-proline 0 N--CA 1.451 -0.387 0 C-N-CA 124.151 0.98 . . . . 0.0 109.086 -176.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.22 151.89 83.96 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.819 2.346 . . . . 0.0 110.221 174.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -69.42 -0.76 6.91 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.809 -0.557 . . . . 0.0 110.653 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.92 -5.38 25.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.02 0.928 . . . . 0.0 110.883 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 m -134.78 169.69 20.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.85 156.02 34.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.953 -0.467 . . . . 0.0 111.095 -174.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 m -146.05 131.93 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -157.64 169.78 23.88 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 118.061 0.392 . . . . 0.0 111.466 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.471 ' HA ' HD13 ' A' ' 12' ' ' ILE . 44.3 mtp-105 -64.65 150.64 46.69 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 170.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -61.39 -26.83 68.1 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.103 -0.373 . . . . 0.0 110.629 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -72.74 -43.88 62.37 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.822 0.449 . . . . 0.0 110.375 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -69.98 -31.2 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.455 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 79.9 t80 -59.42 -38.21 80.04 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.256 0.622 . . . . 0.0 111.827 -176.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -68.34 -17.52 64.27 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.981 -0.449 . . . . 0.0 112.008 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -86.12 -9.02 57.41 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 122.69 0.396 . . . . 0.0 110.425 176.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 89.0 mt -111.03 -33.06 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.097 0.559 . . . . 0.0 110.967 -173.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.455 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 68.2 mm-40 -81.88 2.85 28.53 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 122.208 -0.308 . . . . 0.0 111.078 176.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.42 -18.35 64.64 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.85 21.86 0.1 Allowed Glycine 0 C--N 1.341 0.835 0 CA-C-O 118.742 -1.032 . . . . 0.0 114.527 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.04 -26.9 0.44 Allowed 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m 35.99 39.6 0.08 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.273 1.029 . . . . 0.0 112.882 -172.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.49 83.33 7.7 Favored Pre-proline 0 N--CA 1.455 -0.224 0 C-N-CA 123.507 0.723 . . . . 0.0 109.754 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.36 171.98 0.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 124.72 3.613 . . . . 0.0 114.436 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 CA--C 1.532 0.267 0 CA-C-N 115.276 -0.874 . . . . 0.0 112.057 179.568 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C5'-C4'-C3' 111.14 -2.906 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.368 -3.332 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.338 -3.362 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.907 0 O4'-C1'-N19 111.444 3.244 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.067 -3.633 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 C4'-C3'-C2' 99.381 -3.319 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.736 -2.964 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 0 C4'-C3'-C2' 99.352 -3.348 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.507 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.263 3.063 . 0.285 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . 0.507 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 C4'-C3'-C2' 100.043 -2.657 . 0.017 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 N19-C1'-C2' 108.612 -2.993 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-C3' 110.897 -3.069 . 0.133 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 1 C5'-C4'-C3' 105.506 -6.663 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . 0.465 " H5'" HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.952 1 P-O3'-C3' 125.585 4.904 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C4'-C3'-C2' 98.93 -3.77 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.391 0 C4'-C3'-C2' 98.73 -3.97 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 C4'-C3'-C2' 99.023 -3.677 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.752 -2.948 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.694 -3.006 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.276 -3.424 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.847 -2.853 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 mmm . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.942 0.401 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.26 108.18 7.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 169.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -98.56 150.58 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.515 0.726 . . . . 0.0 109.441 -173.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.44 HD13 ' H ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -154.81 164.52 38.7 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.01 0.924 . . . . 0.0 109.231 -172.034 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.44 ' H ' HD13 ' A' ' 4' ' ' LEU . 1.3 p -125.92 152.58 45.42 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 170.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -148.98 162.64 39.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -115.97 162.16 17.78 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 118.169 0.44 . . . . 0.0 110.23 173.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -57.32 131.96 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.986 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.41 6.79 58.49 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.442 -0.643 . . . . 0.0 112.999 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -118.62 178.59 4.41 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 118.227 1.014 . . . . 0.0 110.315 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -137.25 170.16 16.57 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -169.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mt -143.62 166.05 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 126.898 2.079 . . . . 0.0 106.871 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -138.12 155.0 49.18 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.696 0.68 . . . . 0.0 112.083 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -139.79 147.46 23.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 124.296 1.038 . . . . 0.0 108.569 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.1 -138.3 39.35 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -133.7 15.85 3.97 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.147 0.579 . . . . 0.0 109.932 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -143.55 10.41 1.63 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.845 0.858 . . . . 0.0 111.989 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.24 147.74 32.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 119.067 0.848 . . . . 0.0 111.084 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -139.07 154.89 48.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.28 1.032 . . . . 0.0 108.583 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -136.8 143.24 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -139.46 129.23 24.69 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.788 0.328 . . . . 0.0 110.369 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.4 tp -83.16 93.91 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.3 -27.31 64.29 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -170.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.08 -179.81 40.55 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.333 -0.461 . . . . 0.0 112.06 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -125.58 163.39 26.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 121.372 0.606 . . . . 0.0 110.563 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 m -151.32 59.51 0.9 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.622 1.169 . . . . 0.0 108.019 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.36 -132.99 17.31 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -66.15 -11.05 46.77 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.077 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -98.86 149.2 23.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 118.934 0.788 . . . . 0.0 109.029 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.2 t -134.77 146.45 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -112.1 128.52 56.23 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -134.0 155.21 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -170.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.01 156.57 20.78 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' C' ' 1' ' ' MET . 64.0 mt -137.81 144.84 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -140.53 108.85 5.81 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.14 161.54 29.03 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 123.742 0.817 . . . . 0.0 109.283 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.28 156.84 63.07 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.912 2.408 . . . . 0.0 110.742 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -69.27 -0.46 6.2 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.012 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.19 -10.54 42.56 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.323 1.049 . . . . 0.0 110.296 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.52 169.18 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 124.554 1.142 . . . . 0.0 108.796 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.02 156.61 33.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 122.195 -0.316 . . . . 0.0 111.129 -175.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -145.19 128.68 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -156.55 158.13 36.59 Favored 'General case' 0 C--N 1.337 0.063 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.4 ptt85 -70.17 159.23 34.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -56.78 -23.92 46.73 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -170.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -75.06 -45.02 44.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.829 0.741 . . . . 0.0 110.797 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.6 mm -73.94 -28.46 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 73.3 t80 -59.91 -38.52 82.54 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.047 0.539 . . . . 0.0 111.158 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -70.53 -15.29 62.77 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -84.07 -11.05 57.32 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.551 0.34 . . . . 0.0 110.094 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 93.1 mt -110.6 -32.88 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.136 0.574 . . . . 0.0 110.885 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 56.1 mm-40 -81.73 2.97 27.4 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.858 -0.526 . . . . 0.0 110.926 177.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.3 -18.67 64.82 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.88 19.75 0.1 OUTLIER Glycine 0 C--N 1.343 0.929 0 CA-C-O 119.025 -0.875 . . . . 0.0 114.133 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.29 -25.06 0.44 Allowed 'General case' 0 C--N 1.338 0.095 0 CA-C-N 118.852 1.326 . . . . 0.0 114.574 -172.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m 37.44 36.4 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.654 1.182 . . . . 0.0 113.145 -173.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.15 98.18 2.95 Favored Pre-proline 0 N--CA 1.451 -0.424 0 C-N-CA 123.14 0.576 . . . . 0.0 109.845 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.13 -30.69 10.77 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 124.482 3.454 . . . . 0.0 114.248 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.8 t0 . . . . . 0 N--CA 1.453 -0.318 0 C-N-CA 122.76 0.424 . . . . 0.0 109.99 -175.242 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.678 -3.022 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C4'-C3'-C2' 99.179 -3.521 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C4'-C3'-C2' 99.405 -3.295 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C4'-C3'-C2' 99.621 -3.079 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 98.956 -3.744 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 99.324 -3.376 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 O4'-C1'-N19 110.917 2.717 . 0.597 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 100.171 -2.529 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . 0.453 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.63 1 C5'-C4'-C3' 109.295 -4.137 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . 0.453 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 C4'-C3'-C2' 99.689 -3.011 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C3'-C2'-C1' 104.041 2.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-C3' 111.221 -2.853 . 0.109 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 1 C5'-C4'-C3' 104.691 -7.206 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 1 P-O3'-C3' 125.916 5.18 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.096 -3.604 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 98.989 -3.711 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.302 -3.398 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.752 -2.948 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.408 -3.292 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C4'-C3'-C2' 99.221 -3.479 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 N19-C1'-C2' 109.122 -2.674 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.571 ' HG2' HD11 ' C' ' 3' ' ' ILE . 7.3 tpp . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.817 -0.068 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' C' ' 1' ' ' MET . 2.9 tm? -125.06 109.74 13.3 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 171.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.571 HD11 ' HG2' ' C' ' 1' ' ' MET . 5.0 mp -104.82 141.82 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.775 0.83 . . . . 0.0 110.029 -175.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.3 174.66 12.52 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.567 174.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -110.74 158.0 19.14 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.222 0.534 . . . . 0.0 111.239 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.24 153.05 38.2 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -95.55 149.07 21.83 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.579 HG11 HG12 ' C' ' 25' ' ' VAL . 15.9 m -56.78 119.65 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 177.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.85 5.06 25.86 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.332 -0.705 . . . . 0.0 112.914 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -121.22 -176.16 3.22 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.424 1.112 . . . . 0.0 110.82 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -135.95 171.39 14.54 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mt -146.12 166.39 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 126.699 1.999 . . . . 0.0 106.973 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -139.71 154.05 47.37 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 118.754 0.706 . . . . 0.0 111.858 -176.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -147.27 149.68 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 123.962 0.905 . . . . 0.0 109.648 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.51 13.99 4.53 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 124.741 1.162 . . . . 0.0 115.186 171.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 55.17 12.04 0.62 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -142.67 8.99 1.76 Allowed 'General case' 0 C--N 1.34 0.187 0 C-N-CA 123.667 0.787 . . . . 0.0 110.609 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.43 149.64 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -136.21 150.48 49.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.4 mm -133.02 147.75 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 13.1 m -141.98 125.1 16.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.419 HG22 ' H ' ' C' ' 22' ' ' ILE . 1.9 tp -81.08 87.1 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.53 -27.95 69.31 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -170.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.68 -173.92 43.92 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 120.39 -0.91 . . . . 0.0 113.106 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.579 HG12 HG11 ' C' ' 8' ' ' VAL . 7.7 p -141.35 140.27 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.882 0.873 . . . . 0.0 109.344 -173.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -150.76 83.5 1.34 Allowed 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.921 0.888 . . . . 0.0 108.631 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.68 -142.09 39.67 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 -173.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -69.89 -12.93 61.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.616 0.708 . . . . 0.0 111.589 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -78.23 149.81 33.57 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -142.76 118.59 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -90.05 136.19 33.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -135.59 150.95 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -170.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.61 150.38 18.36 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.3 mt -138.66 144.43 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -144.57 105.52 4.18 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.59 159.26 36.64 Favored Pre-proline 0 C--N 1.332 -0.155 0 C-N-CA 123.375 0.67 . . . . 0.0 109.797 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.23 154.03 75.75 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.466 2.778 . . . . 0.0 110.695 173.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -70.18 -2.02 11.9 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.99 -0.444 . . . . 0.0 110.758 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.93 -8.76 31.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.092 0.957 . . . . 0.0 110.032 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m -138.02 169.36 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.135 0.974 . . . . 0.0 108.534 176.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.12 160.23 30.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.063 -0.398 . . . . 0.0 111.537 -173.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.9 m -146.4 131.59 12.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -157.08 166.74 32.46 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 122.239 -0.288 . . . . 0.0 110.329 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.15 156.24 25.74 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 172.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -59.28 -23.9 62.79 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 122.11 -0.368 . . . . 0.0 111.374 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -75.18 -49.13 20.46 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.256 -0.278 . . . . 0.0 110.752 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.6 mm -69.6 -29.37 41.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-O 121.116 0.484 . . . . 0.0 110.31 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.479 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 83.5 t80 -59.38 -34.86 72.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.892 0.877 . . . . 0.0 112.104 -177.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -71.31 -16.25 62.45 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -177.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -85.17 -8.28 58.67 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 122.694 0.398 . . . . 0.0 109.963 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 82.4 mt -110.5 -44.37 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 122.592 0.357 . . . . 0.0 110.798 -173.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.479 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 67.5 mm-40 -68.56 0.71 3.78 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.43 -16.43 64.09 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.326 0.651 . . . . 0.0 111.779 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.19 15.24 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 CA-C-O 118.853 -0.97 . . . . 0.0 114.414 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -154.06 -175.97 5.64 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 119.111 1.455 . . . . 0.0 112.549 -172.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.1 p -144.74 10.2 1.37 Allowed 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 124.064 0.946 . . . . 0.0 110.489 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.73 128.13 5.58 Favored Pre-proline 0 N--CA 1.45 -0.443 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -54.09 175.9 0.12 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 124.448 3.432 . . . . 0.0 112.933 172.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.682 -179.436 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 C4'-C3'-C2' 99.733 -2.967 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.358 -3.342 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C4'-C3'-C2' 99.386 -3.314 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 C4'-C3'-C2' 99.34 -3.36 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 C4'-C3'-C2' 98.762 -3.938 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 C4'-C3'-C2' 99.586 -3.114 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 O4'-C1'-N19 111.169 2.969 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 O4'-C1'-N19 111.566 3.366 . 0.617 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.481 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 O4'-C1'-N19 111.771 3.571 . 0.491 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . 0.481 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 100.024 -2.676 . 0.016 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C3'-C2'-C1' 103.786 2.54 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.982 0 C5'-C4'-C3' 110.701 -3.2 . 0.126 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 1 C5'-C4'-C3' 105.426 -6.716 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . 0.4 " H5'" HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.988 1 P-O3'-C3' 125.485 4.821 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 C4'-C3'-C2' 99.059 -3.641 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.495 0 C4'-C3'-C2' 98.758 -3.942 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.34 -3.36 . 0.526 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.684 -3.016 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.876 0 C4'-C3'-C2' 99.257 -3.443 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.312 -3.388 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 O4'-C1'-N19 110.848 2.648 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HE1' ' HA3' ' C' ' 33' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 119.876 -0.106 . . . . 0.0 110.831 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -124.1 113.74 18.77 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 3' ' ' ILE . 4.5 mp -112.38 138.12 42.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 123.877 0.871 . . . . 0.0 108.971 -172.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.72 169.56 22.54 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 122.699 0.399 . . . . 0.0 110.79 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.4 p -106.0 157.84 17.22 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.605 0.717 . . . . 0.0 111.28 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -146.81 155.76 42.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.028 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -104.05 152.19 22.36 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 m -57.07 128.23 17.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.08 7.96 55.76 Favored Glycine 0 CA--C 1.531 1.074 0 CA-C-O 119.627 -0.541 . . . . 0.0 112.789 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -119.45 -177.35 3.35 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.903 0.851 . . . . 0.0 110.31 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 m -139.01 169.65 17.4 Favored 'General case' 0 C--N 1.339 0.147 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' C' ' 44' ' ' ARG . 39.1 mm -140.27 163.58 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 126.667 1.987 . . . . 0.0 106.245 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -136.36 150.35 48.79 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.259 0.936 . . . . 0.0 111.164 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -145.94 142.34 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.789 0.836 . . . . 0.0 110.77 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.03 18.85 9.68 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 124.265 0.936 . . . . 0.0 114.348 172.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p30 45.9 17.09 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.943 1.697 . . . . 0.0 115.079 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -137.67 6.42 2.71 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 123.597 0.759 . . . . 0.0 110.158 172.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.21 146.92 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -138.04 154.81 49.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -131.41 142.4 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.3 m -134.18 119.91 19.41 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.424 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.6 tp -78.76 92.46 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -68.57 -28.27 66.8 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -170.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.53 -178.73 38.97 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 121.381 -0.437 . . . . 0.0 112.22 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -117.27 163.12 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 CA-C-O 121.603 0.715 . . . . 0.0 110.754 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.2 t -151.07 58.58 0.91 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.66 -134.85 22.73 Favored Glycine 0 C--N 1.337 0.621 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.22 -9.59 33.65 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.133 0.466 . . . . 0.0 111.287 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -97.62 148.28 23.45 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.33 137.27 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -100.66 129.55 46.59 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -135.06 151.72 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -171.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.16 156.37 18.28 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' C' ' 1' ' ' MET . 66.3 mt -136.78 144.86 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -139.57 107.4 5.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.22 158.19 36.6 Favored Pre-proline 0 N--CA 1.452 -0.362 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.8 145.87 96.93 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.059 1.839 . . . . 0.0 108.992 175.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE3' " H2'" ' D' ' 65' ' ' ' G' . 14.1 tptm -62.68 -8.45 6.64 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.143 0.497 . . . . 0.0 110.999 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.4 -6.63 15.12 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.691 1.996 . . . . 0.0 112.346 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -133.84 169.23 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 176.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.67 156.19 25.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.838 0.29 . . . . 0.0 111.545 -173.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.5 m -146.58 126.24 5.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -156.28 160.88 40.16 Favored 'General case' 0 CA--C 1.521 -0.161 0 O-C-N 121.867 -0.52 . . . . 0.0 110.406 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -65.73 156.41 33.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.32 -23.52 62.55 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -76.19 -45.02 35.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.048 -0.407 . . . . 0.0 110.365 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.34 -31.92 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.473 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 82.7 t80 -58.44 -36.8 74.2 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.191 0.596 . . . . 0.0 111.376 -177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -70.19 -18.67 63.19 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -81.07 -9.43 59.83 Favored 'General case' 0 C--O 1.227 -0.109 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.7 mt -110.38 -44.65 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 122.6 0.36 . . . . 0.0 111.06 -173.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 63.2 mm-40 -68.39 -0.9 5.42 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 122.153 -0.342 . . . . 0.0 111.337 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.04 -17.46 64.46 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.043 0.537 . . . . 0.0 111.486 177.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.27 15.33 0.07 OUTLIER Glycine 0 CA--C 1.531 1.051 0 CA-C-O 118.713 -1.048 . . . . 0.0 114.427 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -154.14 -177.39 6.39 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.217 1.508 . . . . 0.0 112.718 -173.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.3 p -145.37 12.61 1.36 Allowed 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.05 0.94 . . . . 0.0 110.743 175.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.53 126.75 6.93 Favored Pre-proline 0 N--CA 1.451 -0.409 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -47.51 -31.78 14.37 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 124.633 3.556 . . . . 0.0 114.355 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -174.671 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.867 -2.833 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 C4'-C3'-C2' 99.121 -3.579 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 99.048 -3.652 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 O4'-C1'-N19 111.837 3.637 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 99.516 -3.184 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 C4'-C3'-C2' 99.462 -3.238 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 99.219 -3.481 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 O4'-C1'-N19 111.437 3.237 . 0.562 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . 0.535 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 O4'-C1'-N19 111.445 3.245 . 0.496 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . 0.535 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 C4'-C3'-C2' 99.084 -3.616 . 0.046 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 111.387 3.187 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . 0.612 " C2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 C3'-C2'-C1' 105.062 3.957 . 0.581 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . 0.612 H5'' " C2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.171 2 O5'-C5'-C4' 118.194 5.71 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . 0.581 " C5'" " H4'" ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.917 1 P-O3'-C3' 125.302 4.668 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 C4'-C3'-C2' 99.221 -3.479 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 C4'-C3'-C2' 98.922 -3.778 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C4'-C3'-C2' 99.542 -3.158 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 C4'-C3'-C2' 99.619 -3.081 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 C4'-C3'-C2' 99.395 -3.305 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.281 -3.419 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 99.895 -2.805 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.587 ' HG2' HD11 ' C' ' 3' ' ' ILE . 9.9 tpp . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.2 tm? -128.51 108.1 10.26 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 171.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.587 HD11 ' HG2' ' C' ' 1' ' ' MET . 5.1 mp -103.25 141.12 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.486 0.714 . . . . 0.0 110.205 -174.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -161.56 173.19 15.14 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.041 0.536 . . . . 0.0 110.687 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.0 p -108.43 157.21 18.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.382 0.61 . . . . 0.0 110.81 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 5.4 tpm_? -148.65 138.86 22.42 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.984 174.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -80.78 153.11 27.94 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.43 136.99 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.98 -0.28 72.51 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.437 -0.646 . . . . 0.0 112.52 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -104.47 -178.03 3.54 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.162 0.981 . . . . 0.0 110.131 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 40.0 m -137.53 169.12 18.33 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -171.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 59.1 mt -144.16 167.59 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 126.426 1.89 . . . . 0.0 107.018 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -140.89 155.88 46.21 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 121.667 -0.646 . . . . 0.0 111.713 -177.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -140.15 147.56 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.981 0.912 . . . . 0.0 108.601 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.12 -135.11 44.16 Favored Glycine 0 C--N 1.337 0.625 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -134.45 12.61 3.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.998 0.519 . . . . 0.0 109.904 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -142.84 11.25 1.82 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.366 0.666 . . . . 0.0 111.729 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.41 149.45 33.67 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 CA-C-O 121.627 0.727 . . . . 0.0 110.322 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.0 m -137.77 154.39 49.59 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 36.0 mm -137.65 149.78 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 -176.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -141.66 149.79 41.07 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.37 86.0 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.52 -25.55 67.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -169.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -176.93 37.8 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.548 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.67 163.61 16.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 CA-C-O 121.834 0.825 . . . . 0.0 110.264 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -151.18 59.87 0.91 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.24 -133.81 18.77 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.12 -10.3 48.7 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.269 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -97.47 150.93 20.52 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.852 0.751 . . . . 0.0 109.662 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.06 141.68 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -105.91 130.04 53.94 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.4 155.39 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.086 -169.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.406 ' HA3' ' HE1' ' A' ' 1' ' ' MET . . . -125.44 151.6 17.63 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -141.04 144.44 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -144.56 104.6 4.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -175.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.74 159.96 31.73 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 123.568 0.747 . . . . 0.0 109.822 -176.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.16 150.2 88.8 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 123.136 2.558 . . . . 0.0 110.235 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -64.43 -3.44 2.99 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.819 -0.551 . . . . 0.0 110.93 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.9 -6.25 15.78 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.965 0.906 . . . . 0.0 110.87 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -136.14 163.56 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.88 156.43 32.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.073 -0.392 . . . . 0.0 111.196 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 m -144.68 132.66 17.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -156.95 164.34 38.14 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.649 0.261 . . . . 0.0 110.905 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.441 ' HA ' HD13 ' A' ' 12' ' ' ILE . 15.0 ptm180 -69.94 151.04 46.08 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -59.75 -34.24 72.7 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -169.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -80.13 -13.89 58.92 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.38 -0.825 . . . . 0.0 111.781 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -90.55 -29.67 4.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 172.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.474 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 82.6 t80 -59.72 -37.06 77.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.457 0.703 . . . . 0.0 111.675 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -68.76 -17.78 64.1 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -84.94 -7.3 59.21 Favored 'General case' 0 C--N 1.341 0.229 0 C-N-CA 122.681 0.392 . . . . 0.0 110.265 176.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 86.9 mt -110.74 -42.87 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 122.715 0.406 . . . . 0.0 110.681 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.474 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 79.7 mm-40 -70.71 1.97 4.71 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.891 -0.506 . . . . 0.0 112.028 -178.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.06 -14.85 63.26 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.912 0.485 . . . . 0.0 111.947 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.29 14.91 0.06 OUTLIER Glycine 0 C--N 1.34 0.767 0 CA-C-O 119.316 -0.713 . . . . 0.0 114.093 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -152.7 -170.46 3.64 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.586 1.193 . . . . 0.0 111.507 -173.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 9.6 m -140.77 -4.96 1.19 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.511 0.324 . . . . 0.0 110.938 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.22 84.06 4.92 Favored Pre-proline 0 CA--C 1.532 0.27 0 O-C-N 122.118 -0.364 . . . . 0.0 110.502 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -49.03 -33.65 27.16 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 124.26 3.307 . . . . 0.0 113.431 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 N--CA 1.451 -0.419 0 C-N-CA 123.04 0.536 . . . . 0.0 110.072 -177.244 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.443 -3.257 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.233 -3.467 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.401 -3.299 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.537 -3.163 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 O4'-C1'-N19 111.608 3.408 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 C4'-C3'-C2' 99.741 -2.959 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 O4'-C1'-N19 111.19 2.99 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 O4'-C1'-N19 111.375 3.175 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.452 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 111.48 3.28 . 0.531 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . 0.452 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 C4'-C3'-C2' 99.661 -3.039 . 0.017 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . 0.41 " H2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 C3'-C2'-C1' 104.241 3.046 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 C5'-C4'-C3' 111.62 -2.587 . 0.047 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . 0.404 ' C6 ' ' CE ' ' C' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.42 -2.738 1 C5'-C4'-C3' 105.416 -6.723 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 1 P-O3'-C3' 125.671 4.976 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 99.0 -3.7 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 1 C4'-C3'-C2' 98.551 -4.149 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.397 -3.303 . 0.528 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.898 -2.802 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.372 -3.328 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C4'-C3'-C2' 99.419 -3.281 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C4'-C3'-C2' 99.847 -2.853 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.503 ' HG2' HD11 ' A' ' 3' ' ' ILE . 13.0 tpp . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.148 0.023 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.453 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.0 tm? -126.98 105.22 8.46 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.503 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.3 mp -100.01 144.09 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.108 0.963 . . . . 0.0 110.365 -175.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -162.3 173.77 13.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.654 0.782 . . . . 0.0 110.74 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -112.38 153.74 26.83 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.975 0.416 . . . . 0.0 110.995 176.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.417 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -145.52 164.87 30.3 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.579 1.152 . . . . 0.0 108.798 173.371 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -108.57 152.38 24.85 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.101 0.56 . . . . 0.0 109.526 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.53 HG11 HG12 ' A' ' 25' ' ' VAL . 13.8 m -58.43 114.64 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-O 120.926 0.393 . . . . 0.0 110.505 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.48 -12.06 13.96 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -91.02 -178.37 5.17 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 117.636 0.718 . . . . 0.0 111.158 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -140.55 171.86 13.52 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.32 0.581 . . . . 0.0 112.525 -173.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 12' ' ' ILE . 40.4 mt -146.52 166.34 7.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 126.095 1.758 . . . . 0.0 106.828 -176.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -140.75 148.39 40.62 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.037 -0.414 . . . . 0.0 111.004 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -145.83 145.53 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 C-N-CA 123.18 0.592 . . . . 0.0 110.568 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.38 13.64 7.69 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.926 0.774 . . . . 0.0 114.374 171.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 56.06 11.8 0.81 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.375 1.07 . . . . 0.0 113.726 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -141.62 7.77 1.92 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.269 0.628 . . . . 0.0 110.528 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.96 144.9 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.6 m -135.32 150.81 50.06 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -133.44 147.56 31.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -140.35 124.94 18.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.442 HG22 ' H ' ' A' ' 22' ' ' ILE . 2.1 tp -78.47 94.4 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 176.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.74 -26.46 65.26 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.85 -171.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.0 -171.84 42.51 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.364 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.53 HG12 HG11 ' A' ' 8' ' ' VAL . 7.4 p -139.87 146.83 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.842 0.857 . . . . 0.0 110.035 -173.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.8 m -147.06 67.08 1.15 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.658 1.183 . . . . 0.0 108.424 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.59 -131.5 14.57 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 -175.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.08 -23.57 67.2 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.641 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.4 ' HA ' ' HB3' ' C' ' 7' ' ' LYS . 13.3 tt0 -81.74 149.99 28.17 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.115 0.484 . . . . 0.0 110.141 -177.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -145.63 113.29 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -172.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -87.64 132.47 34.08 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -135.31 154.25 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -172.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.37 156.41 20.41 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.3 mt -136.22 144.51 32.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -176.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -141.33 107.97 5.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.19 159.22 33.16 Favored Pre-proline 0 N--CA 1.455 -0.222 0 C-N-CA 123.386 0.674 . . . . 0.0 109.819 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.43 154.45 68.37 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.119 2.546 . . . . 0.0 109.924 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.664 ' HE2' ' N3 ' ' D' ' 65' ' ' ' G' . 0.0 OUTLIER -70.03 -4.92 23.18 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 121.716 -0.615 . . . . 0.0 110.233 178.532 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.85 -6.7 17.32 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.73 1.212 . . . . 0.0 111.047 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.1 m -135.52 163.7 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.57 152.06 34.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.054 -0.404 . . . . 0.0 110.962 -174.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.86 131.51 15.39 Favored 'Isoleucine or valine' 0 C--N 1.337 0.057 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -156.17 162.8 40.16 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-O 120.937 0.399 . . . . 0.0 111.627 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -59.26 143.56 48.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 169.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -58.27 -27.66 64.23 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.181 0.446 . . . . 0.0 111.931 -174.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -63.86 -49.06 74.26 Favored 'General case' 0 CA--C 1.527 0.095 0 O-C-N 121.917 -0.489 . . . . 0.0 110.548 174.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.2 mm -72.98 -24.29 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 122.497 0.319 . . . . 0.0 110.545 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 75.2 t80 -62.31 -39.13 92.01 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -68.83 -20.63 64.31 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.943 -0.473 . . . . 0.0 111.895 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -77.37 -10.92 59.74 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.0 mt -109.97 -43.4 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 122.658 0.383 . . . . 0.0 110.773 -174.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 47.3 mm-40 -68.64 -0.09 4.81 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.056 -0.403 . . . . 0.0 111.698 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.45 -16.35 63.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.566 0.346 . . . . 0.0 111.648 176.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.95 15.68 0.09 OUTLIER Glycine 0 CA--C 1.528 0.888 0 CA-C-O 118.887 -0.952 . . . . 0.0 114.402 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -153.03 -177.81 6.53 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.99 1.395 . . . . 0.0 112.446 -172.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.3 p -145.15 10.68 1.31 Allowed 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.598 1.159 . . . . 0.0 110.769 174.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.55 127.76 6.29 Favored Pre-proline 0 N--CA 1.452 -0.341 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.9 172.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 124.754 3.636 . . . . 0.0 114.211 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 CA--C 1.533 0.309 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.571 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C5'-C4'-C3' 111.293 -2.805 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C4'-C3'-C2' 99.306 -3.394 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 99.35 -3.35 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.645 -3.055 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 98.87 -3.83 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 C4'-C3'-C2' 99.383 -3.317 . 0.558 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.848 0 O4'-C1'-N19 110.999 2.799 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 C4'-C3'-C2' 100.122 -2.578 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . 0.409 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.654 1 C5'-C4'-C3' 108.932 -4.378 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . 0.409 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 O4'-C1'-N19 111.256 3.056 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . 0.402 " O2'" ' HE3' ' C' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 O4'-C1'-N19 111.143 2.943 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 C5'-C4'-C3' 110.994 -3.004 . 0.155 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.025 1 C5'-C4'-C3' 109.051 -4.299 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C5'-C4'-C3' 110.14 -3.573 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 99.332 -3.368 . 0.618 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 98.91 -3.79 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.386 -3.314 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.74 -2.96 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.607 -3.093 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.483 -3.217 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 C4'-C3'-C2' 99.954 -2.746 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.573 ' HG2' HD11 ' C' ' 3' ' ' ILE . 9.8 tpp . . . . . 0 N--CA 1.472 0.635 0 CA-C-O 120.386 0.136 . . . . 0.0 110.735 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' C' ' 1' ' ' MET . 2.8 tm? -123.22 105.48 9.92 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 172.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.573 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.9 mp -100.51 142.76 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.033 0.933 . . . . 0.0 110.434 -174.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.3 168.51 23.87 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.313 0.645 . . . . 0.0 110.503 174.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.2 p -107.59 151.36 25.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.626 0.727 . . . . 0.0 111.444 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.2 OUTLIER -145.42 170.17 16.88 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 126.089 1.755 . . . . 0.0 106.578 173.479 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . 19.1 pttm -143.05 168.65 19.22 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.461 HG11 HG12 ' C' ' 25' ' ' VAL . 17.7 m -48.37 128.94 4.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.05 5.08 62.69 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 119.5 -0.611 . . . . 0.0 112.956 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -108.12 176.29 5.18 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.144 0.972 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.4 m -141.41 171.01 14.65 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.416 HG22 ' H ' ' C' ' 13' ' ' ASN . 8.5 mt -143.84 170.08 9.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 125.575 1.55 . . . . 0.0 107.124 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ASN . . . . . 0.416 ' H ' HG22 ' C' ' 12' ' ' ILE . 11.0 t-20 -140.57 146.9 38.63 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 121.474 -0.766 . . . . 0.0 110.758 -178.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -145.86 142.84 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 123.618 0.767 . . . . 0.0 110.341 -176.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.52 10.42 5.91 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.122 0.868 . . . . 0.0 114.789 171.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.4 t0 55.56 14.32 1.18 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.099 0.95 . . . . 0.0 113.508 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -140.88 6.83 2.03 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.317 0.647 . . . . 0.0 110.108 174.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.79 147.85 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -139.74 152.82 46.94 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 mm -130.92 148.01 33.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -142.97 125.56 15.84 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -79.37 95.19 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.9 mt -70.72 -27.07 63.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -171.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.77 177.12 40.54 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.209 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.461 HG12 HG11 ' C' ' 8' ' ' VAL . 7.1 p -132.48 149.29 32.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 C-N-CA 123.126 0.571 . . . . 0.0 110.454 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.1 p -151.08 78.85 1.3 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.82 0.848 . . . . 0.0 109.103 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.3 -141.97 36.55 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.12 -10.85 44.73 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 118.931 -0.557 . . . . 0.0 111.495 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -97.87 148.69 23.17 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 118.8 0.727 . . . . 0.0 109.605 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 23.2 t -137.09 138.68 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -104.4 127.38 52.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -132.09 153.26 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -171.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.47 155.27 19.94 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 1' ' ' MET . 67.4 mt -135.24 144.65 33.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -178.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -138.08 109.14 6.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.66 159.14 32.43 Favored Pre-proline 0 C--O 1.234 0.277 0 C-N-CA 123.578 0.751 . . . . 0.0 109.584 -177.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.54 152.22 82.49 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.981 2.454 . . . . 0.0 110.443 173.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' LYS . . . . . 0.402 ' HE3' " O2'" ' B' ' 65' ' ' ' G' . 22.0 mmtp -63.98 -1.5 1.5 Allowed 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 173.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.26 -10.78 45.52 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.375 1.07 . . . . 0.0 110.502 174.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -138.36 169.09 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.625 1.17 . . . . 0.0 108.187 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.49 155.46 34.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.277 -0.264 . . . . 0.0 110.819 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -144.07 128.37 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -156.72 156.8 34.0 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 ptt-85 -64.08 155.65 30.72 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 170.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.01 -23.24 61.76 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -170.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -69.29 -52.55 26.4 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 118.536 0.607 . . . . 0.0 110.972 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 25.4 mm -65.51 -26.65 39.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.099 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.43 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 76.3 t80 -62.81 -39.06 93.14 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 122.665 0.386 . . . . 0.0 110.68 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -71.7 -15.96 62.22 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.98 -0.45 . . . . 0.0 111.536 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -84.37 -8.5 58.97 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 122.948 0.499 . . . . 0.0 110.262 174.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -110.39 -44.95 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 122.426 0.29 . . . . 0.0 110.713 -175.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.43 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 54.8 mm-40 -66.52 -1.91 4.12 Favored 'General case' 0 C--N 1.339 0.111 0 O-C-N 121.965 -0.46 . . . . 0.0 111.558 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.49 -16.32 63.54 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.122 0.569 . . . . 0.0 111.593 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.34 14.33 0.06 OUTLIER Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.871 -0.96 . . . . 0.0 114.661 175.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -154.64 178.72 9.79 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.357 1.578 . . . . 0.0 112.59 -172.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 40.5 p -148.26 9.4 0.85 Allowed 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.676 0.79 . . . . 0.0 110.742 174.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.83 122.58 3.96 Favored Pre-proline 0 N--CA 1.451 -0.377 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -50.67 -36.45 50.79 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 124.152 3.234 . . . . 0.0 113.33 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 N--CA 1.455 -0.205 0 C-N-CA 122.722 0.409 . . . . 0.0 110.912 -176.264 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C5'-C4'-C3' 111.148 -2.901 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.398 -3.302 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C4'-C3'-C2' 99.548 -3.152 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 0 C4'-C3'-C2' 99.53 -3.17 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 98.805 -3.895 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 99.424 -3.276 . 0.558 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 111.524 3.324 . 0.63 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C5'-C4'-C3' 111.612 -2.592 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.475 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.546 1 C5'-C4'-C3' 108.779 -4.481 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . 0.475 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 C4'-C3'-C2' 99.911 -2.789 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . 0.664 ' N3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.925 0 C3'-C2'-C1' 105.061 3.957 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 C5'-C4'-C3' 111.103 -2.931 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 1 C5'-C4'-C3' 105.268 -6.821 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 1 P-O3'-C3' 125.596 4.913 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.32 -3.38 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 C4'-C3'-C2' 98.947 -3.753 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.356 -3.344 . 0.557 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 99.902 -2.798 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.646 -3.054 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C4'-C3'-C2' 99.482 -3.218 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.881 -2.819 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mmm . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 121.178 0.513 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -136.03 113.84 11.13 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 168.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -112.76 141.19 29.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 123.555 0.742 . . . . 0.0 110.244 -172.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -160.88 166.55 28.27 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.03 0.532 . . . . 0.0 110.492 175.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.1 p -102.99 157.16 17.17 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.206 0.527 . . . . 0.0 111.21 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -146.05 164.5 31.93 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.851 1.66 . . . . 0.0 107.875 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -118.72 158.69 25.06 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.652 HG11 HG12 ' A' ' 25' ' ' VAL . 18.3 m -53.66 121.35 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.49 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.34 8.76 35.05 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 119.767 -0.463 . . . . 0.0 112.764 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -116.01 179.83 3.87 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.025 0.912 . . . . 0.0 110.184 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -140.59 169.94 16.72 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 121.76 0.79 . . . . 0.0 112.669 -172.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.1 mm -142.76 163.36 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 126.94 2.096 . . . . 0.0 106.631 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -137.94 154.84 49.37 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.662 -0.649 . . . . 0.0 111.781 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -141.14 144.43 26.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.48 -136.3 40.18 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -134.87 15.11 3.6 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.216 0.606 . . . . 0.0 109.987 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -141.14 8.52 2.06 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.612 0.765 . . . . 0.0 111.831 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.92 147.48 33.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 118.807 0.731 . . . . 0.0 110.848 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.5 m -140.39 154.62 46.76 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.217 1.007 . . . . 0.0 108.374 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -135.67 149.72 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -143.51 151.84 40.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.06 89.89 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.0 mt -69.26 -23.64 63.88 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -170.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.62 -176.43 44.14 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.744 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.652 HG12 HG11 ' A' ' 8' ' ' VAL . 9.2 p -141.07 144.76 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 123.777 0.831 . . . . 0.0 109.531 -175.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 m -149.95 73.7 1.18 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.764 0.826 . . . . 0.0 108.837 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.11 -139.39 29.46 Favored Glycine 0 C--N 1.338 0.685 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.27 -16.58 64.14 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.789 176.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.95 151.11 24.46 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 119.062 0.846 . . . . 0.0 109.076 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -143.7 133.18 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -99.1 130.25 45.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -128.4 153.89 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -169.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' HA3' ' HE1' ' C' ' 1' ' ' MET . . . -124.37 152.92 17.49 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.5 mt -141.01 143.19 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -143.98 104.51 4.16 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.64 159.69 33.93 Favored Pre-proline 0 N--CA 1.451 -0.42 0 C-N-CA 124.125 0.97 . . . . 0.0 109.389 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -65.19 152.28 82.72 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.874 2.383 . . . . 0.0 110.316 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -69.57 -1.97 10.2 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.13 -0.356 . . . . 0.0 110.516 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -69.09 -7.16 33.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.985 0.914 . . . . 0.0 110.421 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.47 169.21 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.15 155.56 34.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.169 -0.332 . . . . 0.0 111.634 -172.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -146.73 131.41 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.413 ' HD1' ' H1 ' ' D' ' 64' ' ' ' G' . 14.6 m-70 -158.18 169.11 25.25 Favored 'General case' 0 C--O 1.232 0.132 0 O-C-N 121.592 -0.693 . . . . 0.0 112.003 177.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.18 150.78 28.86 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.639 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.89 -23.98 65.62 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 122.302 -0.249 . . . . 0.0 111.109 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -78.91 -42.89 25.98 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.307 -0.246 . . . . 0.0 110.681 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -70.31 -33.76 55.59 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 C-N-CA 122.828 0.451 . . . . 0.0 110.029 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 79.1 t80 -57.59 -34.12 68.9 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.291 0.637 . . . . 0.0 111.58 -177.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -70.28 -17.56 63.1 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -86.13 -9.97 55.69 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 122.789 0.436 . . . . 0.0 110.49 176.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.9 mt -110.45 -33.84 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.07 0 C-N-CA 122.875 0.47 . . . . 0.0 110.865 -172.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 17.6 mm100 -82.63 3.32 29.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.223 -0.298 . . . . 0.0 111.013 176.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.61 -17.87 64.91 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.01 21.87 0.09 OUTLIER Glycine 0 CA--C 1.527 0.786 0 CA-C-O 118.849 -0.973 . . . . 0.0 114.237 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 56' ' ' THR . 0.9 OUTLIER -146.38 -28.6 0.4 Allowed 'General case' 0 CA--C 1.527 0.086 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -173.528 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.404 ' N ' HD12 ' A' ' 55' ' ' LEU . 2.2 m 35.73 40.07 0.08 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.141 0.976 . . . . 0.0 113.181 -172.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.54 83.0 6.58 Favored Pre-proline 0 N--CA 1.454 -0.227 0 C-N-CA 123.384 0.674 . . . . 0.0 110.142 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -46.55 -29.61 7.65 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 125.177 3.918 . . . . 0.0 114.714 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.2 t0 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -172.364 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 C4'-C3'-C2' 99.794 -2.906 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 0 C4'-C3'-C2' 99.396 -3.304 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.435 -3.265 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 O4'-C1'-N19 111.284 3.084 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C4'-C3'-C2' 99.044 -3.656 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.86 0 C4'-C3'-C2' 98.876 -3.824 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.919 -2.781 . 0.611 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 100.341 -2.359 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . 0.431 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 112.035 3.835 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . 0.431 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.833 -2.867 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 N19-C1'-C2' 109.438 -2.476 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . 0.419 ' C6 ' " H1'" ' B' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C5'-C4'-C3' 111.846 -2.436 . 0.145 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 1 C5'-C4'-C3' 107.073 -5.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . 0.419 " H1'" ' C6 ' ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C5'-C4'-C3' 110.217 -3.522 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.589 -3.111 . 0.543 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 C4'-C3'-C2' 98.957 -3.743 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.342 -3.358 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.835 -2.865 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.44 -3.26 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.573 -3.127 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 O4'-C1'-N19 111.159 2.959 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.412 ' HE1' ' HA3' ' A' ' 33' ' ' GLY . 1.5 mmm . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 119.987 -0.054 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.81 115.18 16.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.0 138.88 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.91 0.884 . . . . 0.0 109.874 -172.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -160.91 168.06 25.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.844 0.458 . . . . 0.0 110.644 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.9 p -107.24 157.26 18.04 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.481 0.657 . . . . 0.0 111.575 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.427 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.1 OUTLIER -146.86 164.92 31.31 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.249 1.819 . . . . 0.0 107.19 175.186 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -117.37 161.97 18.68 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 171.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.612 HG11 HG12 ' C' ' 25' ' ' VAL . 20.0 m -51.59 128.31 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.589 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.69 8.68 57.04 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.499 -0.611 . . . . 0.0 112.761 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -113.67 176.1 5.17 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.42 1.11 . . . . 0.0 110.59 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.3 m -139.55 169.16 18.26 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -171.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.4 mm -141.24 161.52 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 127.012 2.125 . . . . 0.0 106.94 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -134.86 154.32 51.69 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.676 -0.64 . . . . 0.0 111.293 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -141.13 139.59 33.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.56 -131.41 46.55 Favored Glycine 0 C--N 1.337 0.629 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -139.41 17.61 2.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.396 0.679 . . . . 0.0 109.46 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -142.35 6.94 1.73 Allowed 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.94 0.496 . . . . 0.0 111.703 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.04 146.34 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.003 0.82 . . . . 0.0 110.783 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 61.9 m -140.99 152.95 45.33 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.0 mm -136.58 148.45 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -144.33 143.51 31.01 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.882 0.372 . . . . 0.0 110.108 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -97.77 93.43 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.24 -28.01 66.85 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.662 -170.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.93 -178.39 44.19 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.334 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.612 HG12 HG11 ' C' ' 8' ' ' VAL . 11.4 p -137.17 146.13 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.485 0.714 . . . . 0.0 109.654 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -147.89 71.61 1.19 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.561 1.144 . . . . 0.0 108.458 -177.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.58 -137.89 26.6 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -66.0 -18.01 65.06 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.584 -0.722 . . . . 0.0 110.783 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.4 149.34 26.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 119.075 0.852 . . . . 0.0 109.253 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.6 t -143.4 129.8 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -97.26 130.37 44.47 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -129.87 147.17 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 O-C-N 123.446 0.466 . . . . 0.0 109.906 -170.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.01 150.41 18.63 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 66.7 mt -137.45 144.43 31.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -144.18 105.98 4.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -176.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.28 158.66 34.41 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.576 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.65 153.01 79.5 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.767 2.311 . . . . 0.0 110.702 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -69.61 -2.04 10.52 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.221 -0.299 . . . . 0.0 110.545 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.1 -7.8 44.35 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.909 0.883 . . . . 0.0 110.546 172.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -136.86 169.62 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.25 157.59 26.75 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 122.21 -0.306 . . . . 0.0 111.822 -173.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 m -148.68 131.35 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 N-CA-C 108.336 -0.986 . . . . 0.0 108.336 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -158.03 166.8 31.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.52 0.676 . . . . 0.0 112.71 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.516 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 52.1 ttt180 -63.63 146.84 53.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.577 -1.192 . . . . 0.0 107.976 169.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -57.76 -23.85 54.21 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.516 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 13.0 tp10 -72.93 -45.06 60.19 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.072 -0.392 . . . . 0.0 110.361 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 mm -72.28 -30.48 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 C-N-CA 122.866 0.467 . . . . 0.0 110.406 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.489 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 77.7 t80 -59.57 -35.57 74.52 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.154 0.982 . . . . 0.0 111.718 -176.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -70.25 -17.45 63.12 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -176.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -82.17 -9.54 59.48 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 122.966 0.506 . . . . 0.0 110.475 175.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 85.5 mt -110.54 -43.79 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 122.427 0.291 . . . . 0.0 110.504 -172.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.489 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 62.6 mm-40 -68.99 0.02 5.06 Favored 'General case' 0 CA--C 1.529 0.136 0 O-C-N 121.889 -0.507 . . . . 0.0 111.69 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.03 -17.26 64.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.003 0.521 . . . . 0.0 111.659 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.25 15.29 0.07 OUTLIER Glycine 0 CA--C 1.528 0.877 0 CA-C-O 118.843 -0.976 . . . . 0.0 114.195 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.406 ' C ' HD12 ' C' ' 55' ' ' LEU . 2.7 pp -155.37 -179.03 7.7 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.805 1.303 . . . . 0.0 113.282 -172.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 26.2 p -147.65 4.43 0.77 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.902 0.881 . . . . 0.0 110.745 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.85 73.63 6.45 Favored Pre-proline 0 CA--C 1.536 0.409 0 C-N-CA 122.89 0.476 . . . . 0.0 110.649 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -53.77 -170.84 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 124.76 3.64 . . . . 0.0 115.733 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 CA--C 1.533 0.311 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.193 -176.334 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.899 -2.801 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C4'-C3'-C2' 99.272 -3.428 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.346 -3.354 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 O4'-C1'-N19 111.61 3.41 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 98.985 -3.715 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 C4'-C3'-C2' 99.445 -3.255 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.834 -2.866 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 C4'-C3'-C2' 99.875 -2.825 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.426 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C5'-C4'-C3' 109.583 -3.944 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . 0.426 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 C4'-C3'-C2' 99.755 -2.945 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.717 0 O4'-C1'-N19 110.774 2.574 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . 0.624 " H2'" H5'' ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 C3'-C2'-C1' 104.734 3.594 . 0.492 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . 0.624 H5'' " H2'" ' D' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.372 2 O5'-C5'-C4' 118.294 5.782 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . 0.58 " C5'" " H4'" ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.011 1 P-O3'-C3' 125.08 4.483 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 C4'-C3'-C2' 99.369 -3.331 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 98.714 -3.986 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.206 -3.494 . 0.567 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.979 -2.721 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 O4'-C1'-N19 111.33 3.13 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 C4'-C3'-C2' 99.511 -3.189 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.718 -2.982 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 mmm . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.151 0.5 . . . . 0.0 111.512 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -135.67 111.91 9.74 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 169.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.424 HD13 " H5'" ' B' ' 68' ' ' ' G' . 4.5 mp -107.38 151.22 9.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 C-N-CA 123.663 0.785 . . . . 0.0 110.255 -171.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -149.68 175.55 11.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.237 1.015 . . . . 0.0 111.508 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -129.28 117.45 20.7 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 168.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -112.51 164.47 13.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -120.17 158.2 27.45 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.367 0.604 . . . . 0.0 110.168 171.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -53.24 129.73 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.897 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.91 8.79 58.93 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.605 -0.553 . . . . 0.0 112.549 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -118.03 -179.26 3.71 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 117.886 0.843 . . . . 0.0 110.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.8 m -139.79 170.54 15.69 Favored 'General case' 0 C--N 1.339 0.145 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -171.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.9 mt -143.23 165.62 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 126.163 1.785 . . . . 0.0 107.07 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -137.46 154.39 49.92 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.507 -0.746 . . . . 0.0 112.002 -175.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.22 139.77 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.063 0.945 . . . . 0.0 108.537 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.92 -134.2 40.27 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -137.52 17.73 2.91 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.467 0.707 . . . . 0.0 109.266 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -140.32 6.75 2.14 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.723 0.409 . . . . 0.0 111.526 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -132.55 147.14 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 CA-C-N 118.643 0.656 . . . . 0.0 110.552 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -139.84 153.54 47.09 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.5 mm -133.58 149.37 30.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -176.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m -141.21 154.16 45.67 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -117.91 86.74 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -66.46 -25.54 66.77 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -169.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.2 -177.07 41.35 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.714 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.4 m -129.34 162.11 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-O 121.214 0.53 . . . . 0.0 110.283 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -150.61 67.46 0.95 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 176.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.35 -134.55 21.29 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -65.76 -17.11 64.39 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.78 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.11 149.89 25.23 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.4 t -142.45 128.95 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -92.8 127.48 38.32 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -126.77 155.17 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -171.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' HA3' ' HE1' ' C' ' 1' ' ' MET . . . -126.73 152.19 18.41 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.1 mt -141.08 143.15 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -143.89 102.55 3.91 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.18 159.23 33.15 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.679 0.792 . . . . 0.0 109.685 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.94 152.26 81.62 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.152 2.568 . . . . 0.0 110.977 175.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -65.13 -5.42 6.63 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 121.989 -0.444 . . . . 0.0 110.663 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.6 -6.46 15.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.865 0.866 . . . . 0.0 110.912 174.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -136.08 161.26 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.74 153.4 30.37 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 122.172 -0.33 . . . . 0.0 110.706 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.3 m -144.08 131.14 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -157.72 159.76 37.2 Favored 'General case' 0 N--CA 1.461 0.12 0 O-C-N 122.187 -0.321 . . . . 0.0 110.312 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' H ' ' HG2' ' A' ' 44' ' ' ARG . 15.3 ptt180 -61.44 149.61 38.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 170.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.51 -24.35 65.25 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -171.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -73.46 -42.9 61.36 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.769 -0.582 . . . . 0.0 110.274 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mp -71.52 -28.23 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 122.916 0.486 . . . . 0.0 109.697 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.5 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 79.1 t80 -59.99 -37.24 79.07 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 122.298 0.239 . . . . 0.0 111.053 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -69.44 -18.18 63.71 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -84.76 -8.54 58.79 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 122.927 0.491 . . . . 0.0 110.225 176.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.9 mt -110.7 -40.64 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 122.57 0.348 . . . . 0.0 110.331 -174.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.5 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 63.0 mm-40 -72.74 2.92 5.73 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 122.094 -0.378 . . . . 0.0 111.913 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.58 -15.29 63.32 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.171 0.588 . . . . 0.0 111.895 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.84 15.58 0.07 OUTLIER Glycine 0 CA--C 1.529 0.961 0 CA-C-O 119.254 -0.748 . . . . 0.0 114.031 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -153.34 -167.44 2.71 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.579 1.189 . . . . 0.0 111.799 -173.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.4 m -135.2 -11.5 2.19 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.726 0.411 . . . . 0.0 110.939 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.74 97.84 2.3 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 123.059 0.543 . . . . 0.0 109.634 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -53.11 169.86 0.37 Allowed 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 124.372 3.381 . . . . 0.0 113.873 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 N--CA 1.454 -0.24 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.708 -178.829 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 99.784 -2.916 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.511 -3.189 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 99.264 -3.436 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 O4'-C1'-N19 111.57 3.37 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C4'-C3'-C2' 98.855 -3.845 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C4'-C3'-C2' 99.471 -3.229 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 O4'-C1'-N19 111.007 2.807 . 0.611 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 O4'-C1'-N19 110.595 2.395 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 1 C5'-C4'-C3' 109.39 -4.073 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.873 -2.827 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 O4'-C1'-N19 110.828 2.628 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.863 0 C5'-C4'-C3' 111.895 -2.403 . 0.148 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 1 C5'-C4'-C3' 104.922 -7.052 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . 0.424 " H5'" HD13 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.0 1 P-O3'-C3' 125.771 5.059 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 0 C4'-C3'-C2' 99.363 -3.337 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 C4'-C3'-C2' 98.72 -3.98 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.397 -3.303 . 0.542 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.813 -2.887 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.733 -2.967 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.521 -3.179 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.765 -2.935 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.446 ' HE1' ' HA3' ' A' ' 33' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 119.547 -0.263 . . . . 0.0 110.585 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -128.93 115.09 17.3 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.433 HD11 " H5'" ' D' ' 67' ' ' ' C' . 4.9 mp -114.17 137.02 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.629 0.772 . . . . 0.0 109.395 -172.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.8 175.24 12.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.732 175.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -115.13 151.4 34.41 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.476 0.655 . . . . 0.0 111.54 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -145.51 166.15 26.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.953 1.701 . . . . 0.0 106.865 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -117.36 161.3 19.76 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.572 HG11 HG12 ' C' ' 25' ' ' VAL . 29.6 m -49.13 129.03 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.681 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.61 9.81 59.69 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.939 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -116.28 174.11 6.23 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.456 1.128 . . . . 0.0 110.361 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 52.6 m -138.34 170.49 15.93 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -169.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 44.4 mt -143.99 166.94 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 125.974 1.71 . . . . 0.0 107.005 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -138.08 150.73 47.16 Favored 'General case' 0 C--N 1.334 -0.093 0 O-C-N 121.71 -0.619 . . . . 0.0 111.063 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -147.4 143.27 19.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 123.459 0.704 . . . . 0.0 110.3 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.5 12.17 8.69 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.148 0.88 . . . . 0.0 114.975 171.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.5 t0 56.09 13.13 1.09 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -141.39 5.33 1.84 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.253 0.621 . . . . 0.0 110.694 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.22 148.15 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.8 m -138.11 152.38 48.7 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.2 mm -133.28 148.16 31.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.5 m -145.87 127.35 15.04 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -79.42 93.53 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.35 -27.44 67.13 Favored 'General case' 0 N--CA 1.458 -0.073 0 O-C-N 122.295 -0.253 . . . . 0.0 111.589 -172.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.25 179.42 41.75 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.572 HG12 HG11 ' C' ' 8' ' ' VAL . 11.4 p -134.47 145.15 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -147.84 72.18 1.22 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.45 -139.57 30.71 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -66.57 -16.81 64.44 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.09 -0.481 . . . . 0.0 111.174 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.84 147.02 27.02 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.83 123.21 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -89.63 130.51 35.91 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.51 149.05 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -171.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.2 152.96 17.75 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -138.62 144.45 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -144.22 106.03 4.31 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.77 158.07 40.1 Favored Pre-proline 0 CA--C 1.531 0.231 0 C-N-CA 123.592 0.757 . . . . 0.0 109.516 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.25 150.88 81.62 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.644 2.229 . . . . 0.0 110.117 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -67.49 -2.38 6.38 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.169 -0.332 . . . . 0.0 110.965 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.59 -7.89 42.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.592 0.757 . . . . 0.0 110.566 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -136.99 168.77 21.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.8 155.03 28.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 122.358 -0.214 . . . . 0.0 111.362 -173.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.4 m -146.33 130.45 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -155.53 159.61 39.86 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.163 0.506 . . . . 0.0 111.254 175.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -62.7 147.87 48.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 171.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -59.71 -23.82 63.46 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -78.37 -24.5 46.35 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 122.03 -0.419 . . . . 0.0 111.025 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.36 -33.72 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.068 0 C-N-CA 123.15 0.58 . . . . 0.0 109.466 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.511 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 78.0 t80 -57.5 -36.23 71.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.361 0.664 . . . . 0.0 111.295 -178.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -68.61 -18.8 64.38 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -81.88 -9.83 59.48 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 118.034 0.379 . . . . 0.0 110.112 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 77.7 mt -110.42 -42.29 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 122.762 0.425 . . . . 0.0 110.618 -173.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.511 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 55.0 mm-40 -70.57 1.7 4.88 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 122.105 -0.372 . . . . 0.0 111.582 -179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.4 -16.5 64.13 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.834 0.454 . . . . 0.0 111.329 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.2 16.95 0.09 OUTLIER Glycine 0 C--N 1.34 0.758 0 CA-C-O 119.001 -0.888 . . . . 0.0 114.516 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -154.28 -175.68 5.51 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.977 1.388 . . . . 0.0 112.524 -172.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 20.4 p -144.36 10.58 1.47 Allowed 'General case' 0 N--CA 1.461 0.078 0 C-N-CA 124.436 1.094 . . . . 0.0 110.486 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.53 126.22 6.73 Favored Pre-proline 0 N--CA 1.451 -0.408 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.7 167.96 0.24 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 124.524 3.483 . . . . 0.0 114.819 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 CA--C 1.532 0.26 0 C-N-CA 124.485 1.114 . . . . 0.0 112.544 -179.582 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C5'-C4'-C3' 111.519 -2.654 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.385 -3.315 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 99.102 -3.598 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C4'-C3'-C2' 99.423 -3.277 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C4'-C3'-C2' 99.338 -3.362 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.422 -3.278 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.86 0 C4'-C3'-C2' 99.592 -3.108 . 0.604 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 O4'-C1'-N19 111.391 3.191 . 0.524 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.454 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 O4'-C1'-N19 110.809 2.609 . 0.362 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . 0.454 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C4'-C3'-C2' 99.586 -3.114 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 O4'-C1'-N19 111.534 3.334 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . 0.603 " H2'" H5'' ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.234 1 C3'-C2'-C1' 105.12 4.022 . 0.515 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . 0.603 H5'' " H2'" ' D' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.444 1 O5'-C5'-C4' 119.018 6.299 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . 0.507 H5'' " H4'" ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.709 1 C5'-C4'-C3' 108.948 -4.368 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.214 -3.486 . 0.515 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 1 C4'-C3'-C2' 98.508 -4.192 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 99.04 -3.66 . 0.589 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.395 -3.305 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C4'-C3'-C2' 99.528 -3.172 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 C4'-C3'-C2' 99.349 -3.351 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 O4'-C1'-N19 110.936 2.736 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.477 ' HG2' HD11 ' A' ' 3' ' ' ILE . 13.0 tpp . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.466 0.175 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.7 tm? -126.06 107.09 10.09 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 171.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.2 mp -100.74 144.37 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.182 0.993 . . . . 0.0 110.249 -175.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pp -163.67 175.69 10.35 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.584 0.754 . . . . 0.0 110.846 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.9 p -117.15 156.47 27.58 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 121.523 0.678 . . . . 0.0 111.218 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.89 164.23 32.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.341 1.456 . . . . 0.0 108.005 172.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -106.58 153.36 22.46 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.563 HG11 HG12 ' A' ' 25' ' ' VAL . 14.3 m -57.92 114.77 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.05 9.41 15.89 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.356 -0.691 . . . . 0.0 112.696 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -118.63 -179.53 3.83 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.278 1.039 . . . . 0.0 110.747 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -139.82 172.04 13.35 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -169.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.7 mt -152.52 167.48 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 126.742 2.017 . . . . 0.0 107.311 -172.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -143.39 154.71 44.0 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.154 0.502 . . . . 0.0 111.789 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.8 mt -139.26 143.61 30.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.86 -134.78 43.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -176.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -137.39 17.88 2.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -141.68 7.96 1.92 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.585 0.754 . . . . 0.0 111.526 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.48 147.12 33.16 Favored 'Isoleucine or valine' 0 C--N 1.339 0.144 0 CA-C-N 118.664 0.665 . . . . 0.0 110.166 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 m -140.77 153.96 46.07 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.256 1.022 . . . . 0.0 108.608 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -137.81 146.57 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 m -141.19 128.22 20.72 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.407 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.4 tp -81.0 98.1 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.25 -24.08 60.42 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.11 -172.64 40.8 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.316 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.563 HG12 HG11 ' A' ' 8' ' ' VAL . 7.4 p -144.2 146.05 21.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.866 0.866 . . . . 0.0 110.586 -173.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 m -150.85 99.81 2.75 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.131 0.972 . . . . 0.0 108.882 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.51 -126.62 38.04 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 -175.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -89.82 -9.6 48.54 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 117.783 0.791 . . . . 0.0 109.386 175.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -74.18 151.45 40.0 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.3 t -146.8 114.73 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -86.57 129.31 34.91 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.444 HD11 HH22 ' C' ' 6' ' ' ARG . 1.3 mt -136.55 150.04 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.87 156.31 15.74 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.9 mt -135.71 144.31 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -142.09 109.81 5.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.35 159.94 32.66 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.615 0.766 . . . . 0.0 109.121 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.1 153.31 78.62 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.903 2.402 . . . . 0.0 110.254 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -70.4 -1.29 10.24 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.057 -0.402 . . . . 0.0 110.569 176.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.1 -7.19 33.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.669 0.788 . . . . 0.0 110.758 171.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -137.24 169.27 19.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.079 0.952 . . . . 0.0 108.487 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.86 160.63 28.34 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.029 -0.419 . . . . 0.0 112.071 -172.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -145.81 133.95 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -156.5 164.1 38.63 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 122.104 -0.372 . . . . 0.0 110.345 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -68.15 153.44 43.73 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 172.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -57.7 -23.91 54.07 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.94 -44.16 55.86 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.276 0.489 . . . . 0.0 110.386 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -72.58 -31.21 36.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 121.145 0.497 . . . . 0.0 109.99 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.469 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 82.7 t80 -60.75 -35.44 76.4 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.603 0.761 . . . . 0.0 111.825 -177.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -72.38 -16.54 61.85 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -84.77 -7.67 59.11 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 122.96 0.504 . . . . 0.0 109.909 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.9 mt -110.94 -45.05 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 122.301 0.241 . . . . 0.0 110.645 -173.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.469 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 77.9 mm-40 -69.09 0.88 4.07 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.4 -15.21 63.55 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.11 0.564 . . . . 0.0 112.059 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.9 12.97 0.05 OUTLIER Glycine 0 C--N 1.342 0.892 0 CA-C-O 119.311 -0.716 . . . . 0.0 114.076 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -152.8 -169.74 3.43 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.698 1.249 . . . . 0.0 110.957 -174.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 m -135.43 -2.05 2.51 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 122.622 0.369 . . . . 0.0 110.914 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.32 121.38 3.62 Favored Pre-proline 0 N--CA 1.454 -0.252 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -48.5 -31.04 17.22 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 124.371 3.381 . . . . 0.0 114.074 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -175.564 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C5'-C4'-C3' 111.119 -2.921 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 C4'-C3'-C2' 99.178 -3.522 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 C4'-C3'-C2' 99.163 -3.537 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.395 -3.305 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 C4'-C3'-C2' 98.904 -3.796 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C4'-C3'-C2' 99.664 -3.036 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 111.203 3.003 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 100.26 -2.44 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . 0.455 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.719 1 C5'-C4'-C3' 108.952 -4.366 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . 0.455 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 O4'-C1'-N19 110.931 2.731 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C3'-C2'-C1' 103.761 2.512 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C5'-C4'-C3' 110.918 -3.054 . 0.103 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 1 C5'-C4'-C3' 108.842 -4.439 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C5'-C4'-C3' 110.052 -3.632 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.375 -3.325 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 98.733 -3.967 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C4'-C3'-C2' 99.04 -3.66 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.828 -2.872 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.447 -3.253 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.466 -3.234 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.936 -2.764 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.537 ' HG2' HD11 ' C' ' 3' ' ' ILE . 9.0 tpp . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.777 -0.083 . . . . 0.0 110.777 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -119.53 106.0 11.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 169.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.537 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.9 mp -91.3 149.98 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 24.4 mt -143.2 168.41 19.83 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -145.12 112.18 6.0 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.532 ' HE ' HG21 ' C' ' 22' ' ' ILE . 0.0 OUTLIER -141.27 164.82 29.21 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.436 174.692 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -105.02 176.65 5.09 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -169.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.449 HG11 HG12 ' C' ' 25' ' ' VAL . 21.7 m -53.62 142.24 7.18 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.668 -175.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.66 -16.48 57.96 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.388 -0.673 . . . . 0.0 112.943 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -75.7 176.95 7.22 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.624 1.212 . . . . 0.0 111.164 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.7 m -144.4 159.49 42.64 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.313 0.645 . . . . 0.0 110.441 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.401 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 39.9 mm -143.68 164.88 14.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.025 1.33 . . . . 0.0 107.836 -176.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -140.07 154.53 47.09 Favored 'General case' 0 N--CA 1.457 -0.082 0 O-C-N 121.644 -0.66 . . . . 0.0 112.189 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -139.99 145.63 26.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 124.45 1.1 . . . . 0.0 108.787 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.38 -137.39 41.96 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -134.96 16.33 3.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.083 0.553 . . . . 0.0 109.915 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -142.67 9.55 1.78 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.755 0.822 . . . . 0.0 111.97 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.56 146.65 33.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 118.939 0.79 . . . . 0.0 110.866 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 60.5 m -138.47 154.71 48.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.189 0.996 . . . . 0.0 108.407 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.9 mm -136.52 147.07 27.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -141.34 137.74 32.59 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.532 HG21 ' HE ' ' C' ' 6' ' ' ARG . 2.4 tp -93.65 94.78 4.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.05 -24.89 61.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.834 -169.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.45 179.18 41.16 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.451 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.449 HG12 HG11 ' C' ' 8' ' ' VAL . 8.5 p -134.47 148.58 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.009 0.524 . . . . 0.0 109.616 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 63.0 m -146.02 67.0 1.2 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.363 1.065 . . . . 0.0 108.466 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.61 -137.16 25.48 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -65.71 -12.5 54.23 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 118.788 -0.625 . . . . 0.0 111.357 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -97.42 148.47 23.16 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 119.124 0.875 . . . . 0.0 109.45 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 26.7 t -135.59 142.68 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -109.37 127.59 54.46 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.27 154.25 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -170.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.45 154.54 20.05 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.0 mt -136.1 144.93 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -140.32 108.69 5.83 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.05 160.16 31.3 Favored Pre-proline 0 N--CA 1.451 -0.413 0 C-N-CA 123.596 0.758 . . . . 0.0 109.351 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -65.39 156.24 64.42 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.756 2.304 . . . . 0.0 110.834 175.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -68.53 -0.53 5.18 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-O 121.156 0.503 . . . . 0.0 110.149 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -66.41 -12.58 57.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.708 1.203 . . . . 0.0 110.133 172.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -138.59 169.44 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.845 1.258 . . . . 0.0 108.396 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.01 159.26 24.2 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.81 -0.557 . . . . 0.0 110.964 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.4 m -146.34 126.36 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -156.57 164.14 38.55 Favored 'General case' 0 CA--C 1.523 -0.069 0 O-C-N 122.299 -0.251 . . . . 0.0 110.328 175.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -64.96 156.74 30.21 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 171.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.77 -23.45 67.22 Favored 'General case' 0 C--N 1.333 -0.138 0 O-C-N 122.445 -0.159 . . . . 0.0 111.245 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.75 -47.22 63.83 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.824 0.345 . . . . 0.0 110.154 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.8 mm -72.94 -28.91 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.464 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 76.7 t80 -60.92 -36.66 79.87 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 122.881 0.472 . . . . 0.0 110.667 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -72.19 -18.33 61.86 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.075 -0.39 . . . . 0.0 111.688 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.07 -9.39 59.7 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 122.768 0.427 . . . . 0.0 110.315 174.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 89.5 mt -110.25 -45.75 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -174.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.464 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 45.3 mm-40 -68.55 0.71 3.77 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.14 -0.35 . . . . 0.0 111.879 -178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.78 -16.36 63.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.878 0.471 . . . . 0.0 111.924 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.56 14.5 0.06 OUTLIER Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.054 -0.859 . . . . 0.0 114.34 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -154.49 176.56 12.21 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 119.005 1.402 . . . . 0.0 112.843 -172.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 22.6 p -149.86 4.88 0.57 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.471 1.108 . . . . 0.0 110.712 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.08 76.6 7.12 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 123.563 0.745 . . . . 0.0 109.878 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.37 171.14 0.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 124.807 3.671 . . . . 0.0 114.356 178.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 CA--C 1.529 0.148 0 C-N-CA 123.831 0.853 . . . . 0.0 112.857 -178.085 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C4'-C3'-C2' 99.579 -3.121 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.209 -3.491 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.323 -3.377 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.528 -3.172 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 98.989 -3.711 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 C4'-C3'-C2' 99.352 -3.348 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.498 -3.202 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-N19 111.598 3.398 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.467 " H4'" ' OP1' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 C4'-C3'-O3' 116.896 2.421 OUTLIER-EPSILON 0.617 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . 0.467 ' OP1' " H4'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.403 1 P-O3'-C3' 125.769 5.058 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 N19-C1'-C2' 109.354 -2.529 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 C5'-C4'-C3' 109.605 -3.93 . 0.125 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 1 C5'-C4'-C3' 105.776 -6.483 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . 0.462 " H5'" HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.422 -2.617 1 P-O3'-C3' 125.484 4.82 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 98.751 -3.949 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 1 C4'-C3'-C2' 98.383 -4.317 . 0.587 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.107 -3.593 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.885 -2.815 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C4'-C3'-C2' 99.707 -2.993 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 99.425 -3.275 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.645 -3.055 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 2' ' ' LEU . 14.8 tpp . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.893 -0.04 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.2 tm? -125.54 108.1 11.27 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 169.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.447 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.3 mp -102.38 143.46 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.075 0 C-N-CA 123.583 0.753 . . . . 0.0 110.021 -175.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.13 169.89 20.08 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.044 0.537 . . . . 0.0 110.674 174.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.6 p -105.42 157.93 17.0 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.454 0.645 . . . . 0.0 111.335 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -148.41 163.88 35.8 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 176.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -120.6 157.64 29.08 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.387 0.613 . . . . 0.0 110.009 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.4 m -53.4 127.1 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.247 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.93 8.57 53.94 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 119.532 -0.593 . . . . 0.0 112.843 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -118.58 -176.74 3.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.163 0.982 . . . . 0.0 110.189 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.1 m -140.39 168.11 20.57 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -172.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' C' ' 44' ' ' ARG . 35.7 mm -141.33 162.98 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 126.627 1.971 . . . . 0.0 106.699 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -139.15 154.85 48.15 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.971 0.805 . . . . 0.0 112.284 -177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.7 mt -140.42 145.49 25.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 124.054 0.942 . . . . 0.0 108.654 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.7 -139.26 32.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -132.77 16.57 4.29 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.359 0.663 . . . . 0.0 110.065 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -142.06 8.85 1.88 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.812 0.845 . . . . 0.0 111.689 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.54 146.48 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 119.021 0.828 . . . . 0.0 110.797 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -139.86 155.74 47.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -137.54 146.4 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -136.33 150.17 48.74 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -110.81 91.26 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.23 -26.2 63.74 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.496 -168.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.91 -177.86 39.55 Favored Glycine 0 C--N 1.336 0.583 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.633 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 m -124.95 161.32 28.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.262 0.554 . . . . 0.0 110.534 176.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 m -151.19 63.93 0.9 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.94 -133.32 20.55 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.5 -18.59 65.43 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.118 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -86.87 148.77 25.22 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.0 t -140.23 129.0 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -90.95 129.99 36.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -134.42 155.25 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -170.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 156.69 21.76 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.4 mt -138.13 145.76 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -142.24 110.54 6.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.69 158.75 33.11 Favored Pre-proline 0 N--CA 1.452 -0.368 0 C-N-CA 123.614 0.765 . . . . 0.0 109.35 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.56 150.49 86.55 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.207 2.605 . . . . 0.0 110.406 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -64.45 -5.0 4.49 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 122.368 -0.207 . . . . 0.0 110.588 175.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -66.15 -7.04 15.54 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.393 0.677 . . . . 0.0 110.742 173.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -137.33 167.46 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.32 159.34 27.63 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.951 -0.468 . . . . 0.0 111.144 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.05 131.76 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -156.03 160.16 39.77 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.7 ptt85 -68.79 156.4 38.41 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 172.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.0 -24.11 56.87 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -169.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.49 -40.64 66.76 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.397 -0.814 . . . . 0.0 110.992 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.64 -31.34 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.465 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 73.1 t80 -59.42 -39.83 84.75 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.683 0.393 . . . . 0.0 111.501 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.15 -15.71 63.47 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -85.97 -9.27 57.14 Favored 'General case' 0 C--N 1.34 0.171 0 O-C-N 121.961 -0.462 . . . . 0.0 110.556 175.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.417 ' HA ' HD11 ' A' ' 55' ' ' LEU . 91.9 mt -110.2 -37.7 3.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 C-N-CA 122.425 0.29 . . . . 0.0 111.262 -173.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 66.8 mm-40 -75.55 0.67 16.56 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.3 -0.25 . . . . 0.0 111.413 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.23 -16.29 64.21 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.867 0.467 . . . . 0.0 112.114 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.04 18.72 0.08 OUTLIER Glycine 0 CA--C 1.527 0.819 0 CA-C-O 119.19 -0.783 . . . . 0.0 113.915 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 51' ' ' ILE . 3.2 pp -149.5 28.9 0.78 Allowed 'General case' 0 C--N 1.338 0.091 0 CA-C-N 118.657 1.229 . . . . 0.0 113.721 -171.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.4 m -64.36 -6.66 7.51 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.766 -0.584 . . . . 0.0 111.559 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.19 69.69 11.74 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 123.94 0.896 . . . . 0.0 109.037 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -50.4 -40.67 53.28 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 124.408 3.405 . . . . 0.0 113.899 -173.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.9 t70 . . . . . 0 CA--C 1.534 0.34 0 C-N-CA 122.905 0.482 . . . . 0.0 110.832 -175.095 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.889 -2.811 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.206 -3.494 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 C4'-C3'-C2' 99.327 -3.373 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 111.476 3.276 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 98.942 -3.758 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 C4'-C3'-C2' 98.998 -3.702 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 O4'-C1'-N19 111.459 3.259 . 0.623 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.404 0 C4'-C3'-C2' 99.507 -3.193 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . 0.446 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.587 2 C3'-C2'-C1' 105.472 4.413 OUTLIER-DELTA 0.078 1t . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . 0.446 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 C4'-C3'-C2' 100.032 -2.668 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.775 0 N19-C1'-C2' 109.43 -2.481 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . 0.413 ' C6 ' " H1'" ' B' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.385 0 C5'-C4'-C3' 110.833 -3.111 . 0.147 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.995 1 C5'-C4'-C3' 108.743 -4.504 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . 0.413 " H1'" ' C6 ' ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C5'-C4'-C3' 110.289 -3.474 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.409 -3.291 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 98.856 -3.844 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.065 -3.635 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C4'-C3'-C2' 99.739 -2.961 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C4'-C3'-C2' 99.517 -3.183 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.578 -3.122 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 C4'-C3'-C2' 99.928 -2.772 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.564 ' HG2' HD11 ' C' ' 3' ' ' ILE . 6.8 tpp . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 110.767 -0.086 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.405 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.2 tm? -124.96 108.05 11.47 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 172.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.564 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.4 mp -96.54 151.25 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.728 1.211 . . . . 0.0 110.083 -172.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.467 ' HA ' ' C2 ' ' D' ' 63' ' ' ' A' . 38.4 mt -147.36 173.05 12.97 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.595 1.158 . . . . 0.0 111.268 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p -129.46 120.19 25.03 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 167.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 3.4 tpm_? -125.81 132.2 52.3 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -81.24 156.85 25.4 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.522 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.653 HG11 HG12 ' C' ' 25' ' ' VAL . 17.2 m -55.24 129.82 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.701 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.96 2.5 58.25 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.31 -0.717 . . . . 0.0 112.918 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -110.55 179.7 4.0 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.517 1.158 . . . . 0.0 110.752 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.8 m -137.81 171.49 14.35 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -170.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.424 HG22 ' N ' ' C' ' 13' ' ' ASN . 62.4 mt -152.9 166.28 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 127.015 2.126 . . . . 0.0 107.4 -170.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ASN . . . . . 0.424 ' N ' HG22 ' C' ' 12' ' ' ILE . 18.7 m120 -142.39 154.73 44.87 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -140.33 145.72 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 114.662 -1.153 . . . . 0.0 108.611 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.97 -138.57 42.16 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -133.91 15.77 3.91 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.032 0.533 . . . . 0.0 110.048 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -142.23 9.74 1.88 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.553 0.741 . . . . 0.0 111.595 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.0 146.82 32.98 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.952 0.796 . . . . 0.0 110.889 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 40.7 m -136.04 153.44 51.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -137.4 147.42 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.9 m -140.7 148.1 40.26 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -107.43 85.57 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.5 mt -63.47 -25.23 68.17 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -167.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.27 -174.84 44.34 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.218 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.653 HG12 HG11 ' C' ' 8' ' ' VAL . 7.9 p -141.59 142.81 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.166 0.986 . . . . 0.0 109.292 -175.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.6 m -148.44 70.51 1.13 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.935 0.894 . . . . 0.0 108.616 -175.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.77 -138.76 28.98 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 108.801 -1.72 . . . . 0.0 108.801 -175.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.49 -16.49 64.16 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 118.808 -0.615 . . . . 0.0 110.973 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.64 149.36 25.38 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 52.9 t -141.5 142.51 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -111.39 128.88 56.11 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.6 154.94 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.81 -169.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.35 154.94 21.45 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.0 mt -136.45 144.7 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -138.89 106.72 5.65 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.11 160.93 30.73 Favored Pre-proline 0 N--CA 1.452 -0.357 0 C-N-CA 123.702 0.801 . . . . 0.0 109.426 -177.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -65.35 155.55 68.06 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.952 2.435 . . . . 0.0 110.601 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -68.05 -0.53 4.57 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 122.116 -0.365 . . . . 0.0 110.244 172.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.26 -11.71 51.98 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.434 1.094 . . . . 0.0 110.199 173.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -138.53 169.34 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.681 1.192 . . . . 0.0 108.258 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.51 158.83 26.43 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.172 -0.33 . . . . 0.0 111.065 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.1 m -146.13 130.22 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.074 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -157.98 171.0 21.04 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 122.112 -0.368 . . . . 0.0 110.531 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.409 ' HA ' HD13 ' A' ' 12' ' ' ILE . 76.9 mtm180 -68.1 156.92 36.41 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 170.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -59.69 -25.31 64.66 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.046 0.451 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.72 -48.21 55.73 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.353 0.661 . . . . 0.0 111.06 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -74.63 -27.14 20.51 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.13 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -176.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.465 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 85.2 t80 -59.96 -35.64 75.41 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.578 0.751 . . . . 0.0 111.752 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.87 -18.06 63.39 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.033 -0.417 . . . . 0.0 112.052 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -84.96 -8.23 58.83 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 122.732 0.413 . . . . 0.0 110.167 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 86.3 mt -110.65 -44.44 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 122.44 0.296 . . . . 0.0 110.6 -172.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.465 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 61.8 mm-40 -67.97 0.03 3.91 Favored 'General case' 0 C--O 1.233 0.185 0 O-C-N 122.208 -0.307 . . . . 0.0 111.373 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.81 -16.66 64.01 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.273 0.629 . . . . 0.0 111.555 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.15 17.96 0.09 OUTLIER Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.122 -0.821 . . . . 0.0 113.962 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -155.58 -178.47 7.3 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.021 1.41 . . . . 0.0 112.709 -173.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 21.0 p -144.64 7.15 1.26 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.518 1.127 . . . . 0.0 110.142 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.09 85.14 4.72 Favored Pre-proline 0 N--CA 1.449 -0.496 0 C-N-CA 124.291 1.036 . . . . 0.0 108.393 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -43.41 137.8 5.33 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 124.363 3.376 . . . . 0.0 113.627 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 CA--C 1.532 0.287 0 C-N-CA 125.285 1.434 . . . . 0.0 114.163 178.05 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.998 -2.702 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 99.529 -3.171 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.397 0 C4'-C3'-C2' 99.116 -3.584 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 C4'-C3'-C2' 99.128 -3.572 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C4'-C3'-C2' 99.196 -3.504 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 C4'-C3'-C2' 99.3 -3.4 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . 0.431 " H2'" ' C6 ' ' D' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 O4'-C1'-N19 110.82 2.62 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . 0.431 ' C6 ' " H2'" ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.827 -2.873 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.467 ' C2 ' ' HA ' ' C' ' 4' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 O4'-C1'-N19 111.849 3.649 . 0.456 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 1 C5'-C4'-C3' 109.495 -4.003 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 O4'-C1'-N19 112.065 3.865 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.314 0 C5'-C4'-C3' 109.857 -3.762 . 0.597 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 1 C5'-C4'-C3' 105.392 -6.739 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . 0.546 " H5'" HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.723 1 P-O3'-C3' 125.863 5.136 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.475 -3.225 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.423 0 C4'-C3'-C2' 98.716 -3.984 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.037 -3.663 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.663 -3.037 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.501 -3.199 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.449 -3.251 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 110.721 2.521 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.587 ' HG2' HD11 ' A' ' 3' ' ' ILE . 8.0 tpp . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 120.499 0.19 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.0 tm? -128.28 109.97 11.96 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 171.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.587 HD11 ' HG2' ' A' ' 1' ' ' MET . 4.9 mp -104.16 144.25 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.242 1.017 . . . . 0.0 110.094 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -162.1 -178.73 6.58 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.142 0.577 . . . . 0.0 110.216 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -119.28 155.39 31.88 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.946 0.879 . . . . 0.0 111.053 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.404 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 4.7 tpm_? -148.82 163.85 36.17 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 177.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -134.75 166.57 22.65 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 119.582 1.083 . . . . 0.0 110.984 169.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.467 HG11 HG12 ' A' ' 25' ' ' VAL . 19.6 m -47.16 133.5 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 123.731 0.644 . . . . 0.0 112.462 -171.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.6 0.24 72.95 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.285 -0.73 . . . . 0.0 113.519 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -103.16 -178.61 3.71 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.493 1.147 . . . . 0.0 110.242 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -140.16 168.05 20.7 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -174.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.2 mt -143.83 162.82 15.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 125.923 1.689 . . . . 0.0 107.432 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -137.59 155.9 48.68 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.462 0.649 . . . . 0.0 111.443 -176.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.1 mt -142.88 140.8 27.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.395 1.078 . . . . 0.0 108.921 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.26 -135.51 44.18 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -177.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -136.5 16.28 3.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.183 0.593 . . . . 0.0 110.267 176.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -139.61 6.85 2.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.272 0.629 . . . . 0.0 111.573 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -129.62 146.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 CA-C-N 118.822 0.737 . . . . 0.0 110.368 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.8 m -138.81 154.86 48.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.0 mm -137.65 149.7 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -141.82 151.97 43.27 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -111.09 86.09 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.08 -25.9 68.0 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.381 -169.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.12 179.22 41.55 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.585 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.467 HG12 HG11 ' A' ' 8' ' ' VAL . 10.3 p -135.01 146.31 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -145.65 71.65 1.28 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.489 1.116 . . . . 0.0 108.168 -176.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.32 -136.7 23.95 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -175.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -67.67 -14.27 62.8 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.797 -0.621 . . . . 0.0 111.086 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.41 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 2.9 tp-100 -85.37 148.73 25.87 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.862 0.755 . . . . 0.0 109.533 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.4 t -142.09 126.09 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.0 ttm-85 -95.22 131.35 41.37 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -130.28 149.96 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.76 -169.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.36 148.93 18.87 Favored Glycine 0 C--N 1.332 0.345 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -137.62 143.82 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -144.55 104.87 4.1 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.58 159.18 36.84 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.311 0.644 . . . . 0.0 109.849 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.01 152.8 79.63 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.776 2.317 . . . . 0.0 110.592 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -69.4 -1.89 9.56 Favored 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.066 -0.396 . . . . 0.0 110.772 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -69.42 -7.59 39.09 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.812 0.845 . . . . 0.0 110.763 172.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.33 169.03 20.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.03 155.38 23.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.119 -0.363 . . . . 0.0 111.052 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -145.94 124.39 4.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.041 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.401 ' CE1' ' H22' ' D' ' 64' ' ' ' G' . 21.6 m-70 -157.8 170.27 22.74 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 122.14 -0.35 . . . . 0.0 110.124 177.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.476 ' HA ' HD13 ' C' ' 12' ' ' ILE . 49.4 ptt85 -83.08 159.18 22.18 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -54.53 -32.79 58.87 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -169.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.79 -28.06 63.36 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.974 -0.454 . . . . 0.0 112.048 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -87.55 -27.68 5.67 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 52' ' ' GLN . 77.3 t80 -60.18 -32.72 71.34 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.028 0.531 . . . . 0.0 111.874 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -72.67 -14.68 61.64 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 121.738 -0.601 . . . . 0.0 112.294 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -86.06 -10.03 55.68 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.815 0.446 . . . . 0.0 110.973 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -110.35 -58.68 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 C-N-CA 122.593 0.357 . . . . 0.0 110.63 -173.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 48' ' ' TYR . 13.0 mp0 -67.64 0.52 3.11 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.113 0.565 . . . . 0.0 112.418 -177.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.31 -16.44 54.13 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.104 0.562 . . . . 0.0 111.784 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.08 9.46 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 CA-C-O 119.582 -0.566 . . . . 0.0 113.841 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -152.98 -169.28 3.29 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.268 1.034 . . . . 0.0 110.998 -174.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.6 m -134.4 -3.68 2.68 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.477 0.311 . . . . 0.0 110.933 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.52 120.4 3.74 Favored Pre-proline 0 C--O 1.234 0.246 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -49.25 -32.03 24.06 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.026 3.151 . . . . 0.0 114.291 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -175.669 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.975 -2.725 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C4'-C3'-C2' 99.086 -3.614 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.489 -3.211 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 O4'-C1'-N19 111.441 3.241 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 98.737 -3.963 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.463 -3.237 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 O4'-C1'-N19 111.028 2.828 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 100.436 -2.264 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . 0.453 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.807 1 C5'-C4'-C3' 109.342 -4.105 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . 0.453 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-C3' 111.571 -2.62 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 O4'-C1'-N19 110.629 2.429 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C5'-C4'-C3' 111.61 -2.594 . 0.169 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 1 C5'-C4'-C3' 105.27 -6.82 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.945 1 P-O3'-C3' 125.656 4.964 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 99.193 -3.507 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 98.834 -3.866 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.436 0 C4'-C3'-C2' 99.239 -3.461 . 0.528 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 100.023 -2.677 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.315 3.115 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.325 -3.375 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 99.816 -2.884 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 35.3 mmm . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 120.929 0.395 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -135.74 114.63 12.1 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 167.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.32 142.11 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.212 -172.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.1 174.84 12.41 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.065 0.546 . . . . 0.0 110.882 176.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.8 p -116.25 156.88 25.8 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.764 0.793 . . . . 0.0 111.071 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.451 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.5 OUTLIER -146.03 164.89 30.66 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.399 1.48 . . . . 0.0 107.741 175.009 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 42.6 mtmt -116.18 165.15 13.48 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.561 172.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.9 m -58.12 131.91 22.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.465 -175.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.55 -13.52 61.14 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.637 0.637 . . . . 0.0 111.921 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -86.2 179.56 6.9 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.051 0.925 . . . . 0.0 110.921 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.6 m -140.18 168.33 20.06 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.519 0.676 . . . . 0.0 112.553 -175.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 44' ' ' ARG . 29.0 mm -140.09 161.47 25.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 126.492 1.917 . . . . 0.0 106.943 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -138.3 154.1 49.01 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 121.747 -0.596 . . . . 0.0 111.607 -177.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -142.27 143.8 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.57 -138.83 36.43 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -133.4 16.42 4.05 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.292 0.637 . . . . 0.0 110.263 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -141.76 8.45 1.92 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.696 0.798 . . . . 0.0 111.833 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.57 145.1 36.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 CA-C-N 119.044 0.838 . . . . 0.0 110.873 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 76.2 m -140.84 155.54 46.32 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.31 1.044 . . . . 0.0 108.588 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 mm -137.35 147.45 26.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -140.43 128.95 22.76 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.985 0.357 . . . . 0.0 110.285 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -82.82 96.9 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.97 -26.73 62.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -171.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.78 -176.6 40.57 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.49 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -128.48 161.49 37.08 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.332 0.587 . . . . 0.0 110.66 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.0 m -151.32 72.14 1.03 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.81 -136.63 23.21 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 -174.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.53 -20.36 66.31 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.2 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -76.65 150.08 36.42 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.88 119.23 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -89.58 131.87 35.38 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -135.22 152.26 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -172.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.67 157.0 18.88 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' MET . 66.0 mt -138.9 144.93 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -176.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -141.62 108.04 5.29 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.4 159.17 33.06 Favored Pre-proline 0 N--CA 1.451 -0.401 0 C-N-CA 123.883 0.873 . . . . 0.0 108.824 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.51 151.69 84.11 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 122.623 2.215 . . . . 0.0 110.339 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -68.3 -2.05 7.52 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.226 -0.296 . . . . 0.0 110.376 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.27 -7.17 34.51 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.114 0.966 . . . . 0.0 110.663 172.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.89 168.46 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.946 0.898 . . . . 0.0 108.595 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.63 156.32 26.06 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 122.327 -0.233 . . . . 0.0 111.317 -174.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.3 m -144.79 125.99 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.068 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -159.2 164.17 35.33 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.88 0.372 . . . . 0.0 110.854 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -66.14 159.65 25.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -57.35 -32.52 66.84 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.406 0.283 . . . . 0.0 111.433 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -69.64 -45.69 67.88 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 120.368 0.128 . . . . 0.0 111.238 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.2 -30.87 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -57.78 -25.29 60.31 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.715 0.806 . . . . 0.0 111.94 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -71.06 -14.46 62.33 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.177 -0.327 . . . . 0.0 111.483 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' ARG . . . . . 0.508 ' C ' HD12 ' C' ' 51' ' ' ILE . 10.7 mpt_? -82.19 -6.63 59.35 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.659 -0.651 . . . . 0.0 109.997 176.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.508 HD12 ' C ' ' C' ' 50' ' ' ARG . 1.5 mp -110.45 -12.94 11.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.759 0.824 . . . . 0.0 109.276 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -119.55 -14.78 9.08 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.571 0.749 . . . . 0.0 112.955 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -141.78 0.08 1.39 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.37 42.36 0.43 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.749 HD22 ' H ' ' C' ' 55' ' ' LEU . 0.9 OUTLIER -32.05 133.51 0.1 Allowed 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 126.102 1.761 . . . . 0.0 112.931 -172.795 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.3 p -76.71 166.33 23.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.628 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 35.12 58.13 2.45 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 124.805 1.242 . . . . 0.0 113.364 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -47.56 -37.4 26.48 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 124.049 3.166 . . . . 0.0 114.019 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 39.2 t70 . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 122.812 0.445 . . . . 0.0 111.459 -175.486 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C5'-C4'-C3' 111.258 -2.828 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.06 -3.64 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.395 -3.305 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 O4'-C1'-N19 111.763 3.563 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 98.966 -3.734 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 C4'-C3'-C2' 99.124 -3.576 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 O4'-C1'-N19 111.363 3.163 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 O4'-C1'-N19 111.558 3.358 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.503 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 O4'-C1'-N19 111.51 3.31 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . 0.503 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C5'-C4'-C3' 111.186 -2.876 . 0.039 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 N19-C1'-C2' 109.692 -2.318 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 C5'-C4'-C3' 112.303 -2.132 . 0.138 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.857 1 C5'-C4'-C3' 104.655 -7.23 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 1 P-O3'-C3' 125.733 5.028 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.112 -3.588 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C4'-C3'-C2' 98.653 -4.047 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 C4'-C3'-C2' 99.335 -3.365 . 0.546 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.891 -2.809 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 99.629 -3.071 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.322 -3.378 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 C4'-C3'-C2' 99.81 -2.89 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ttp . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.45 128.16 52.91 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.495 HD11 " H5'" ' B' ' 67' ' ' ' C' . 4.5 mp -130.67 141.69 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 C-N-CA 123.43 0.692 . . . . 0.0 109.71 -171.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.24 169.69 21.71 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.504 176.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 p -108.56 153.03 23.94 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.252 0.549 . . . . 0.0 110.254 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.419 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 8.5 mmp_? -144.35 164.83 29.66 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.142 1.377 . . . . 0.0 107.891 175.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' C' ' 29' ' ' GLN . 40.3 mtmt -119.69 160.66 22.1 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 120.728 0.299 . . . . 0.0 110.774 176.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.2 m -55.45 121.66 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.537 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.67 -17.97 27.5 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.771 0.7 . . . . 0.0 112.492 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.59 175.86 10.15 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 118.438 1.119 . . . . 0.0 111.22 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -138.85 168.74 19.16 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 121.55 0.69 . . . . 0.0 111.666 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 12' ' ' ILE . 14.0 mt -143.51 169.67 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 C-N-CA 125.309 1.444 . . . . 0.0 107.238 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -140.81 150.91 43.92 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 118.179 0.445 . . . . 0.0 110.801 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -146.0 142.73 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 123.395 0.678 . . . . 0.0 110.45 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.15 12.98 8.5 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-O 119.229 -0.762 . . . . 0.0 114.83 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.3 t70 58.33 10.67 1.37 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -139.72 5.21 2.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.323 0.649 . . . . 0.0 110.711 176.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.03 146.17 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 m -136.62 151.06 48.91 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -133.07 149.33 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -144.23 124.28 13.61 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -77.46 95.29 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.82 -28.0 65.34 Favored 'General case' 0 C--O 1.23 0.073 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -172.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.23 -176.9 40.82 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.512 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -128.73 161.89 36.82 Favored 'Isoleucine or valine' 0 C--O 1.23 0.073 0 CA-C-O 121.396 0.617 . . . . 0.0 110.306 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.0 m -151.3 74.66 1.15 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.17 -140.17 29.36 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 108.191 -1.964 . . . . 0.0 108.191 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -67.48 -12.28 59.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 117.615 0.707 . . . . 0.0 111.762 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.95 149.36 30.86 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -141.46 120.48 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -90.84 133.75 34.98 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.16 151.72 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -172.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.93 148.09 18.36 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -137.85 144.54 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -143.14 103.99 4.22 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -176.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.36 158.76 43.46 Favored Pre-proline 0 C--O 1.233 0.235 0 C-N-CA 123.989 0.916 . . . . 0.0 109.895 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.77 151.78 81.83 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.97 2.446 . . . . 0.0 110.308 174.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -69.48 -1.48 8.69 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.789 -0.57 . . . . 0.0 110.575 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.49 -10.74 57.52 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.895 0.878 . . . . 0.0 110.504 171.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.6 m -133.42 168.86 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.87 160.66 29.31 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.157 -0.339 . . . . 0.0 111.59 -173.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 m -144.93 129.65 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -157.68 165.35 35.69 Favored 'General case' 0 C--N 1.339 0.121 0 O-C-N 121.813 -0.555 . . . . 0.0 110.289 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -59.94 152.85 22.6 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 171.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -60.91 -31.46 70.97 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 122.031 -0.418 . . . . 0.0 110.796 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -78.75 -20.58 49.58 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.4 mm -90.49 -26.37 5.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.137 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -62.34 -38.02 87.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.953 0.901 . . . . 0.0 111.225 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.3 -17.63 64.32 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -79.0 -12.83 60.05 Favored 'General case' 0 N--CA 1.461 0.077 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.668 ' HA ' HD12 ' A' ' 55' ' ' LEU . 95.4 mt -110.39 -34.7 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 123.22 0.608 . . . . 0.0 111.526 -173.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.468 HE22 HG21 ' A' ' 56' ' ' THR . 6.0 mm100 -71.72 1.52 6.71 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.434 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.34 -12.47 61.13 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.074 0.949 . . . . 0.0 111.399 174.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.17 -0.53 1.56 Allowed Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.593 -0.559 . . . . 0.0 113.335 174.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 51' ' ' ILE . 24.6 mt -78.31 -7.9 57.78 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-N 118.361 1.081 . . . . 0.0 113.399 -173.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.468 HG21 HE22 ' A' ' 52' ' ' GLN . 69.0 p -68.14 -16.04 63.83 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -173.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.56 74.07 3.24 Favored Pre-proline 0 N--CA 1.454 -0.25 0 C-N-CA 123.132 0.573 . . . . 0.0 110.46 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -49.28 -39.01 43.17 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 124.05 3.166 . . . . 0.0 112.935 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 CA--C 1.531 0.231 0 C-N-CA 122.881 0.472 . . . . 0.0 110.23 -178.206 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.744 -2.956 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.071 -3.629 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.377 -3.323 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 99.484 -3.216 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C4'-C3'-C2' 99.01 -3.69 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 98.998 -3.702 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 O4'-C1'-N19 111.648 3.448 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 O4'-C1'-N19 111.112 2.912 . 0.611 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . 0.428 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 O4'-C1'-N19 111.177 2.977 . 0.47 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . 0.428 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 99.233 -3.467 . 0.024 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.748 0 O4'-C1'-N19 110.764 2.564 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . 0.629 " H2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 C3'-C2'-C1' 104.778 3.643 . 0.568 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . 0.629 H5'' " H2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.38 2 O5'-C5'-C4' 118.856 6.183 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . 0.538 " C5'" " H4'" ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.927 1 P-O3'-C3' 124.894 4.329 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.159 -3.541 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 1 C4'-C3'-C2' 98.601 -4.099 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.246 -3.454 . 0.55 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.631 -3.069 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.637 -3.063 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C4'-C3'-C2' 99.142 -3.558 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.896 -2.804 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mmm . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.29 112.69 10.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 168.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -101.7 150.92 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.548 HD13 ' H ' ' C' ' 5' ' ' THR . 0.2 OUTLIER -155.74 162.54 40.51 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.933 0.493 . . . . 0.0 109.679 -172.182 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.548 ' H ' HD13 ' C' ' 4' ' ' LEU . 2.0 p -126.86 146.06 50.42 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 123.095 0.558 . . . . 0.0 110.135 171.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.469 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -143.66 169.02 18.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 174.693 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -118.84 161.79 19.57 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -55.22 129.12 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.939 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.04 -12.97 59.01 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 123.651 0.643 . . . . 0.0 112.649 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -88.04 175.34 7.8 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 118.218 1.009 . . . . 0.0 111.079 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -140.86 168.11 20.58 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -173.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.0 mt -142.3 165.53 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 126.43 1.892 . . . . 0.0 106.877 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -134.58 154.06 51.66 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 118.398 0.545 . . . . 0.0 110.376 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -139.94 143.98 29.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 123.888 0.875 . . . . 0.0 109.082 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.49 -131.31 51.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -136.98 10.6 3.07 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -145.13 10.32 1.3 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.338 0.655 . . . . 0.0 112.006 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.73 146.28 34.39 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 CA-C-N 118.963 0.802 . . . . 0.0 110.212 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -137.89 155.97 48.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -136.29 146.22 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.1 m -144.84 130.64 19.13 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.931 0.396 . . . . 0.0 110.169 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -82.98 95.16 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.01 -25.74 63.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -172.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.34 -179.95 40.06 Favored Glycine 0 CA--C 1.525 0.705 0 O-C-N 122.143 -0.348 . . . . 0.0 112.322 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 17.1 m -131.57 163.93 35.88 Favored 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.382 0.611 . . . . 0.0 110.647 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -151.23 67.81 0.92 Allowed 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.1 -133.8 15.71 Favored Glycine 0 C--N 1.336 0.551 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -65.66 -15.49 62.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 119.028 -0.511 . . . . 0.0 110.77 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 2.8 tp-100 -86.19 146.89 26.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 118.626 0.648 . . . . 0.0 109.314 177.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -141.88 125.05 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 ttm-85 -95.05 129.08 42.28 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.67 154.66 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -171.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.35 149.52 17.49 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -135.19 137.75 49.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -137.19 104.86 5.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -172.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.73 161.98 29.76 Favored Pre-proline 0 C--O 1.234 0.264 0 C-N-CA 123.973 0.909 . . . . 0.0 109.867 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.09 153.83 76.4 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.912 2.408 . . . . 0.0 110.424 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -71.12 -1.02 10.97 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.857 -0.527 . . . . 0.0 110.297 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.29 -6.27 28.36 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.996 0.918 . . . . 0.0 110.498 171.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -136.43 168.14 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 124.005 0.922 . . . . 0.0 108.527 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.99 159.14 28.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 122.221 -0.299 . . . . 0.0 111.276 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -145.24 131.23 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -159.97 167.49 27.85 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.206 0.457 . . . . 0.0 111.644 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -60.44 152.18 26.27 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 169.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.32 -24.98 65.44 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.213 -0.305 . . . . 0.0 111.491 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -75.14 -48.42 23.79 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.939 -0.476 . . . . 0.0 110.727 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.93 -25.97 38.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -58.45 -52.64 64.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 122.823 0.449 . . . . 0.0 109.892 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.51 -16.33 35.95 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -172.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -79.95 -1.98 41.86 Favored 'General case' 0 C--N 1.337 0.05 0 CA-C-N 118.146 0.43 . . . . 0.0 110.985 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.43 ' HA ' HD11 ' C' ' 55' ' ' LEU . 70.5 mt -113.0 -78.74 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -173.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.744 ' NE2' ' H ' ' C' ' 52' ' ' GLN . 0.0 OUTLIER -64.87 4.23 0.45 Allowed 'General case' 0 C--O 1.232 0.134 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 -173.12 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.48 -9.66 36.64 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 122.088 -0.382 . . . . 0.0 111.206 171.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.07 0.21 0.03 OUTLIER Glycine 0 C--N 1.341 0.838 0 CA-C-O 119.514 -0.603 . . . . 0.0 113.824 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.43 HD11 ' HA ' ' C' ' 51' ' ' ILE . 2.4 pp -156.33 173.01 17.5 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.563 1.181 . . . . 0.0 111.047 -177.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 25.1 m -151.84 -21.98 0.19 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.276 0.23 . . . . 0.0 111.181 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.56 71.66 6.07 Favored Pre-proline 0 CA--C 1.531 0.225 0 O-C-N 122.18 -0.325 . . . . 0.0 111.092 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -53.67 -170.64 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 125.241 3.961 . . . . 0.0 115.612 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 N--CA 1.45 -0.46 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.088 -172.498 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.784 -2.916 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.238 -3.462 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.432 -3.268 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 C4'-C3'-C2' 99.242 -3.458 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.37 -3.33 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 C4'-C3'-C2' 99.21 -3.49 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 O4'-C1'-N19 111.544 3.344 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.859 0 C4'-C3'-C2' 99.987 -2.713 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.404 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.943 1 C3'-C2'-C1' 105.133 4.037 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . 0.404 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.946 0 C4'-C3'-C2' 100.019 -2.681 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 N19-C1'-C2' 109.628 -2.357 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . 0.408 ' C6 ' " H1'" ' D' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 C5'-C4'-C3' 111.322 -2.785 . 0.308 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 1 C5'-C4'-C3' 106.983 -5.678 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . 0.408 " H1'" ' C6 ' ' D' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C5'-C4'-C3' 110.386 -3.409 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.347 -3.353 . 0.368 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 98.98 -3.72 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.29 -3.41 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.684 -3.016 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.614 -3.086 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.335 -3.365 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 O4'-C1'-N19 111.059 2.859 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HE1' ' HA3' ' C' ' 33' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 119.8 -0.143 . . . . 0.0 111.049 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -129.37 113.12 14.56 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.423 HD11 " H5'" ' B' ' 67' ' ' ' C' . 4.8 mp -111.5 137.48 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.813 0.845 . . . . 0.0 109.227 -172.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -160.69 175.67 12.38 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.56 0.344 . . . . 0.0 111.019 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 p -117.65 152.41 35.24 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.308 0.575 . . . . 0.0 111.821 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.88 167.82 21.41 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 126.497 1.919 . . . . 0.0 107.055 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -119.81 161.89 20.02 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HA ' HG13 ' A' ' 22' ' ' ILE . 31.2 m -57.82 133.08 22.7 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.568 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.35 5.66 59.08 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 119.436 -0.647 . . . . 0.0 112.265 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -111.34 176.52 4.99 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.363 1.081 . . . . 0.0 110.895 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.5 m -136.96 169.05 18.42 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.15 167.73 11.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 125.785 1.634 . . . . 0.0 107.559 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -141.82 154.15 45.0 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.184 0.516 . . . . 0.0 111.065 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -140.0 139.04 37.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.66 -131.19 46.8 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.306 -1.517 . . . . 0.0 109.306 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -140.64 19.06 2.35 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.391 0.676 . . . . 0.0 109.203 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -141.17 6.27 1.94 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.125 0.57 . . . . 0.0 111.771 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.63 145.81 34.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.173 0 CA-C-N 118.528 0.604 . . . . 0.0 110.512 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.7 m -139.92 152.32 46.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 mm -136.6 149.37 26.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.7 m -144.25 128.02 17.26 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.7 tp -80.13 95.08 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 175.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.77 -27.95 65.35 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.77 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.02 -176.43 39.28 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.148 -0.549 . . . . 0.0 112.803 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.2 m -133.19 162.4 39.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 121.099 0.476 . . . . 0.0 111.254 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -150.52 75.79 1.23 Allowed 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.4 -107.85 3.14 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -95.96 -12.22 25.38 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 172.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -71.57 153.71 41.96 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.324 0.583 . . . . 0.0 109.74 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 t -146.49 104.64 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm-85 -78.96 133.89 36.85 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -132.16 148.05 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.35 149.41 18.59 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -138.63 144.82 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -144.4 104.01 4.03 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -176.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.3 157.76 33.76 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.153 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.61 151.45 82.76 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.612 2.875 . . . . 0.0 111.028 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -64.74 -6.13 7.32 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.834 -0.541 . . . . 0.0 111.019 175.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.83 -7.18 19.72 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.542 0.737 . . . . 0.0 110.523 174.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.16 166.64 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.99 154.45 38.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.898 -0.501 . . . . 0.0 110.957 -174.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.79 124.84 7.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 O-C-N 123.318 0.386 . . . . 0.0 110.047 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -157.32 159.78 37.85 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.888 -0.508 . . . . 0.0 110.729 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -64.47 151.08 45.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -57.27 -30.04 64.35 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -70.44 -41.1 73.3 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 121.914 -0.491 . . . . 0.0 111.038 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -73.22 -26.88 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.478 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 86.5 t80 -62.73 -34.81 77.95 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.493 0.717 . . . . 0.0 110.806 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -70.22 -18.24 63.16 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 122.01 -0.431 . . . . 0.0 111.883 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -83.76 -8.24 59.29 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.883 0.473 . . . . 0.0 109.966 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.7 mt -110.64 -43.6 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 122.398 0.279 . . . . 0.0 110.583 -174.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.478 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 62.3 mm-40 -68.42 0.5 3.89 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.35 -15.97 63.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.723 0.409 . . . . 0.0 111.911 176.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.27 14.72 0.06 OUTLIER Glycine 0 C--N 1.342 0.862 0 CA-C-O 119.102 -0.832 . . . . 0.0 114.537 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -154.3 -178.19 6.96 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.175 1.487 . . . . 0.0 112.306 -172.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.2 p -145.9 12.31 1.26 Allowed 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 124.079 0.952 . . . . 0.0 110.871 175.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.67 127.12 5.2 Favored Pre-proline 0 N--CA 1.45 -0.442 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.93 -38.91 24.32 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 124.276 3.317 . . . . 0.0 113.093 176.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 122.866 0.466 . . . . 0.0 110.941 -177.659 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.877 -2.823 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.303 -3.397 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.453 -3.247 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 111.378 3.178 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.242 -3.458 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.398 -3.302 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 O4'-C1'-N19 111.599 3.399 . 0.602 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 O4'-C1'-N19 111.591 3.391 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 O4'-C1'-N19 111.323 3.123 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O4'-C1'-N19 111.46 3.26 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.93 0 O4'-C1'-N19 111.13 2.93 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . 0.625 " H2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.315 0 C3'-C2'-C1' 104.724 3.582 . 0.518 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . 0.625 H5'' " H2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 O5'-C5'-C4' 118.913 6.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . 0.507 " H1'" ' C6 ' ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 C5'-C4'-C3' 108.979 -4.347 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 C4'-C3'-C2' 99.358 -3.342 . 0.591 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 1 C4'-C3'-C2' 98.569 -4.131 . 0.738 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.25 -3.45 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.981 -2.719 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 O4'-C1'-N19 111.433 3.233 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C4'-C3'-C2' 99.562 -3.138 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-C2' 99.897 -2.803 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mmm . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 120.737 0.303 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -135.55 113.13 10.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 169.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.38 143.03 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 123.247 0.619 . . . . 0.0 109.453 -174.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -160.72 172.33 17.26 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.131 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -108.76 154.62 21.79 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.895 0.855 . . . . 0.0 110.432 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.66 HH21 HG22 ' C' ' 22' ' ' ILE . 3.7 mtp180 -149.38 -178.76 6.59 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 114.332 -1.304 . . . . 0.0 108.457 171.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -145.65 168.28 21.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.708 175.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 m -53.59 127.82 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-O 121.009 0.433 . . . . 0.0 111.694 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.72 -16.3 51.58 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 123.716 0.675 . . . . 0.0 113.271 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -82.47 178.05 8.42 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.156 0.978 . . . . 0.0 111.728 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 61.5 m -144.69 165.02 29.24 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.326 0.584 . . . . 0.0 112.266 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.436 ' CD1' HH11 ' C' ' 6' ' ' ARG . 37.2 mt -137.87 163.04 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 125.785 1.634 . . . . 0.0 108.223 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -131.95 147.16 52.45 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -143.81 141.37 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 122.934 0.494 . . . . 0.0 110.463 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.18 13.76 7.45 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 123.787 0.708 . . . . 0.0 114.348 172.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 t70 56.11 12.9 1.04 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.305 1.042 . . . . 0.0 113.756 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -139.63 5.86 2.23 Favored 'General case' 0 C--N 1.34 0.19 0 O-C-N 121.698 -0.626 . . . . 0.0 110.43 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.4 148.77 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -137.75 152.33 49.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.2 mm -132.14 148.87 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -142.01 151.35 42.39 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.66 HG22 HH21 ' C' ' 6' ' ' ARG . 3.1 tp -111.7 87.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.26 -24.66 67.38 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.61 -169.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.45 -176.26 37.12 Favored Glycine 0 C--N 1.338 0.685 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.505 174.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 13.1 m -127.23 163.74 29.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.055 0.455 . . . . 0.0 110.981 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -150.75 75.65 1.22 Allowed 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.49 -141.15 29.35 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 107.713 -2.155 . . . . 0.0 107.713 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -68.97 -11.66 60.94 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.961 175.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.52 149.02 31.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -141.27 122.84 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 -175.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 31.6 ttm-85 -90.8 125.14 35.62 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.88 154.14 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.361 -172.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.465 ' HA3' ' HE1' ' A' ' 1' ' ' MET . . . -122.34 151.83 16.88 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.2 mt -140.82 144.07 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -143.84 103.52 4.06 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -174.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.07 159.09 36.09 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.825 0.85 . . . . 0.0 109.801 -176.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.32 150.19 84.69 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.416 2.744 . . . . 0.0 110.351 173.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -64.7 -5.38 5.64 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.993 -0.442 . . . . 0.0 110.693 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -67.04 -7.21 21.02 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.618 0.767 . . . . 0.0 110.607 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.07 168.85 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.341 1.056 . . . . 0.0 108.517 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.51 155.81 32.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 122.269 -0.27 . . . . 0.0 111.342 -173.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 9.6 m -144.55 127.62 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.092 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -157.85 159.07 36.26 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -71.16 160.67 32.45 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.125 173.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -56.77 -23.47 43.3 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.518 0.727 . . . . 0.0 112.615 -175.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.36 -39.53 47.14 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.832 -0.543 . . . . 0.0 111.082 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.31 -33.0 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.458 ' HA ' ' CG1' ' C' ' 51' ' ' ILE . 87.9 t80 -56.47 -30.5 62.99 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.042 0.537 . . . . 0.0 112.08 -175.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -71.83 -19.03 62.04 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 122.004 -0.435 . . . . 0.0 111.256 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -86.35 -15.32 40.86 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.458 ' CG1' ' HA ' ' C' ' 48' ' ' TYR . 14.1 mm -80.3 -57.81 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 121.799 0.809 . . . . 0.0 108.817 178.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -68.61 3.23 1.94 Allowed 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.928 0.891 . . . . 0.0 112.309 -172.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.64 -13.5 62.34 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 122.91 0.484 . . . . 0.0 112.128 175.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.71 11.64 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 CA-C-O 119.265 -0.742 . . . . 0.0 114.514 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -152.48 179.94 8.13 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.69 1.245 . . . . 0.0 110.707 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -152.14 -30.16 0.16 Allowed 'General case' 0 C--N 1.341 0.2 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 176.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.12 65.28 4.03 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 118.18 0.445 . . . . 0.0 111.193 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.68 167.27 0.44 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 124.014 3.143 . . . . 0.0 114.603 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 CA--C 1.531 0.233 0 CA-C-N 115.27 -0.877 . . . . 0.0 113.218 -175.882 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C5'-C4'-C3' 111.447 -2.702 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 99.363 -3.337 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C4'-C3'-C2' 99.504 -3.196 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.721 -2.979 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 1 C4'-C3'-C2' 98.646 -4.054 . 0.734 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 O4'-C1'-N19 111.25 3.05 . 0.417 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 O4'-C1'-N19 111.241 3.041 . 0.635 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 C4'-C3'-C2' 100.377 -2.323 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 1 C5'-C4'-C3' 109.189 -4.207 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 C5'-C4'-C3' 111.523 -2.651 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C3'-C2'-C1' 104.104 2.893 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 0 C5'-C4'-C3' 111.438 -2.708 . 0.132 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 1 C5'-C4'-C3' 107.467 -5.356 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 C5'-C4'-C3' 110.193 -3.538 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.148 -3.552 . 0.654 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 98.927 -3.773 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 C4'-C3'-C2' 99.456 -3.244 . 0.493 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.777 -2.923 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.814 0 C4'-C3'-C2' 99.516 -3.184 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.427 -3.273 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.869 -2.831 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.581 ' HG2' HD11 ' A' ' 3' ' ' ILE . 9.9 tpp . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.533 0.206 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.436 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.9 tm? -128.54 106.15 8.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 172.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.581 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.0 mp -101.95 143.49 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.132 0.973 . . . . 0.0 110.535 -174.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.81 173.9 13.16 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.149 0.579 . . . . 0.0 110.453 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.3 p -113.94 156.32 24.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.069 0.461 . . . . 0.0 111.903 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.69 164.21 32.49 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.12 1.368 . . . . 0.0 108.535 170.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -107.52 160.82 15.37 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.7 m -59.95 128.82 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.522 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.86 10.01 53.28 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 119.344 -0.698 . . . . 0.0 112.903 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -116.48 174.58 5.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 118.416 1.108 . . . . 0.0 110.717 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -137.47 174.19 10.86 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -168.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -152.81 165.73 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 127.383 2.273 . . . . 0.0 106.579 -173.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -143.68 154.37 43.44 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 118.329 0.513 . . . . 0.0 112.237 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.2 mt -146.7 150.41 14.99 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 123.879 0.872 . . . . 0.0 110.017 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.27 13.81 7.72 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.545 1.069 . . . . 0.0 114.87 170.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 55.57 12.11 0.74 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.2 1.0 . . . . 0.0 113.533 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -142.18 9.86 1.9 Allowed 'General case' 0 C--N 1.34 0.192 0 C-N-CA 123.358 0.663 . . . . 0.0 110.772 175.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.95 150.3 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 121.302 0.573 . . . . 0.0 109.592 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.3 m -137.4 149.93 47.29 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 mm -133.03 147.53 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -146.14 128.23 15.61 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -78.72 96.49 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 174.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD13 " H1'" ' D' ' 67' ' ' ' C' . 23.5 mt -70.23 -27.53 64.53 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.24 -0.287 . . . . 0.0 111.087 -173.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.87 -178.84 39.16 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.04 164.2 26.27 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 121.126 0.488 . . . . 0.0 110.838 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -151.28 73.08 1.08 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.32 -138.67 29.53 Favored Glycine 0 C--N 1.337 0.629 0 N-CA-C 108.881 -1.688 . . . . 0.0 108.881 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -67.45 -12.72 60.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.245 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.75 150.11 24.81 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 52.3 t -140.73 127.42 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -95.28 131.25 41.56 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.78 151.49 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -171.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.4 149.48 18.01 Favored Glycine 0 C--N 1.333 0.362 0 N-CA-C 108.516 -1.834 . . . . 0.0 108.516 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -138.56 143.87 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -144.22 104.46 4.11 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.165 0.507 . . . . 0.0 109.943 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.28 157.92 41.8 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 123.844 0.857 . . . . 0.0 108.727 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -61.97 146.42 96.32 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.175 1.917 . . . . 0.0 108.82 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HE3' " H2'" ' D' ' 65' ' ' ' G' . 14.1 tptm -62.59 -8.41 6.4 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.023 0.44 . . . . 0.0 110.916 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.55 -6.5 15.28 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.427 1.891 . . . . 0.0 112.258 176.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -132.76 169.02 22.82 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.5 153.25 30.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 117.697 0.226 . . . . 0.0 111.507 -173.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 m -147.13 128.84 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -158.87 163.97 36.13 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 118.184 0.447 . . . . 0.0 110.035 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -64.91 155.77 33.2 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 171.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -57.32 -30.74 65.04 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.117 -0.365 . . . . 0.0 111.722 -176.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.57 -35.94 70.75 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 122.124 -0.36 . . . . 0.0 111.309 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -82.71 -30.46 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -176.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -57.81 -25.06 60.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.803 0.841 . . . . 0.0 111.236 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -67.57 -14.73 63.19 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.724 0.41 . . . . 0.0 111.981 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -80.43 -41.51 24.39 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.4 mp -67.58 -8.91 9.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.318 1.047 . . . . 0.0 109.53 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -118.23 -6.01 10.86 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -138.55 -2.99 1.72 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -176.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.2 -11.47 0.06 OUTLIER Glycine 0 CA--C 1.528 0.855 0 CA-C-N 119.072 0.851 . . . . 0.0 112.077 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 53.93 -175.05 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.26 1.824 . . . . 0.0 112.93 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.8 p -136.51 6.7 3.01 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.268 0.627 . . . . 0.0 111.077 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.17 65.08 5.97 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 122.861 0.464 . . . . 0.0 110.977 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -52.56 172.09 0.18 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 124.227 3.285 . . . . 0.0 114.256 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 CA--C 1.533 0.322 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.847 -178.053 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.956 -2.744 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.151 -3.549 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 C4'-C3'-C2' 99.525 -3.175 . 0.673 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 O4'-C1'-N19 111.204 3.004 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.917 1 C4'-C3'-C2' 98.517 -4.183 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 98.721 -3.979 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 O4'-C1'-N19 111.202 3.002 . 0.543 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.993 -2.707 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . 0.459 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.684 1 C5'-C4'-C3' 109.267 -4.155 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . 0.459 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 O4'-C1'-N19 110.679 2.479 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.814 0 O4'-C1'-N19 110.942 2.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.248 0 C5'-C4'-C3' 110.591 -3.273 . 0.122 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . 0.403 ' C6 ' ' CE ' ' A' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.418 -2.899 1 C5'-C4'-C3' 105.343 -6.771 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 1 P-O3'-C3' 125.155 4.545 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.037 -3.663 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 1 C4'-C3'-C2' 98.657 -4.043 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 98.801 -3.899 . 0.568 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.658 -3.042 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 C4'-C3'-C2' 99.225 -3.475 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.438 -3.262 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 C4'-C3'-C2' 100.12 -2.58 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mmm . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.731 0.301 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.61 113.66 11.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 169.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.481 ' CD1' " H4'" ' D' ' 67' ' ' ' C' . 4.7 mp -112.02 141.85 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.07 0.948 . . . . 0.0 109.797 -172.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -163.25 176.12 10.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.926 0.49 . . . . 0.0 110.591 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 23.8 p -122.07 153.98 37.93 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.298 0.57 . . . . 0.0 111.188 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.453 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -147.7 168.08 23.01 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.721 1.608 . . . . 0.0 107.199 173.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -115.06 162.09 17.48 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.851 0.358 . . . . 0.0 110.332 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.4 m -54.81 127.56 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.687 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.04 -15.01 55.58 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.679 0.657 . . . . 0.0 112.241 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -84.68 178.14 7.78 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.019 0.91 . . . . 0.0 110.84 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 28.3 m -139.53 166.77 23.71 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.374 0.607 . . . . 0.0 112.291 -174.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.408 HD13 HG21 ' C' ' 12' ' ' ILE . 37.1 mt -142.63 167.37 14.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 125.627 1.571 . . . . 0.0 107.081 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -140.62 154.65 46.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.807 -0.558 . . . . 0.0 111.351 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -139.83 141.62 33.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 123.865 0.866 . . . . 0.0 108.743 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.78 -133.84 49.96 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -137.68 17.15 2.89 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -142.04 6.96 1.79 Allowed 'General case' 0 C--O 1.231 0.089 0 C-N-CA 123.237 0.615 . . . . 0.0 111.766 -178.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.1 147.41 33.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 118.801 0.728 . . . . 0.0 110.506 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.0 m -138.07 154.98 49.23 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -136.99 146.5 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -177.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.6 m -140.64 129.49 23.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.5 95.2 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -69.2 -29.76 67.79 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.062 -170.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.13 -175.67 40.2 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.55 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 m -124.93 163.07 26.04 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 CA-C-O 121.092 0.473 . . . . 0.0 110.44 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -151.51 68.75 0.91 Allowed 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.48 -138.54 29.09 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -172.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -65.34 -13.06 57.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.793 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -88.65 145.94 25.38 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -133.72 131.47 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -177.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.9 ttm-85 -101.0 129.06 46.78 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.23 154.95 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 -170.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.49 20.23 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 1' ' ' MET . 5.3 mp -133.42 144.88 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -137.53 108.78 6.83 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.78 160.06 31.36 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.045 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.52 152.64 80.36 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.387 2.725 . . . . 0.0 110.75 174.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -65.19 -6.01 8.32 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 122.208 -0.308 . . . . 0.0 110.59 175.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -66.58 -7.86 23.08 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.329 0.652 . . . . 0.0 111.094 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.0 166.06 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 154.03 31.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 121.231 -0.187 . . . . 0.0 110.988 -173.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.5 m -145.26 129.61 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -157.15 159.89 38.24 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -66.08 158.14 29.26 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 169.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.61 -23.03 57.97 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -173.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.75 -45.34 62.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.072 -0.393 . . . . 0.0 110.37 -177.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.25 -28.88 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.505 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.2 t80 -59.94 -39.21 84.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.289 0.236 . . . . 0.0 111.247 -178.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -69.11 -15.05 63.34 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -176.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -86.23 -9.93 55.59 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.633 0.373 . . . . 0.0 110.331 175.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.567 ' HA ' HD11 ' C' ' 55' ' ' LEU . 93.6 mt -110.3 -36.28 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 122.696 0.398 . . . . 0.0 111.574 -172.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.505 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 70.7 mm-40 -76.54 0.11 21.16 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 122.217 -0.302 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.3 -17.53 64.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.98 20.42 0.09 OUTLIER Glycine 0 C--N 1.342 0.892 0 CA-C-O 119.091 -0.838 . . . . 0.0 114.295 178.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.567 HD11 ' HA ' ' C' ' 51' ' ' ILE . 3.1 pp -145.35 31.62 1.1 Allowed 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 118.809 1.304 . . . . 0.0 113.699 -171.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 38.5 p -65.82 -2.7 4.01 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.606 -0.684 . . . . 0.0 112.341 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.0 71.39 12.25 Favored Pre-proline 0 N--CA 1.455 -0.212 0 C-N-CA 124.075 0.95 . . . . 0.0 109.693 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -49.25 -31.32 21.94 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 124.521 3.48 . . . . 0.0 114.431 -176.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -175.44 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C5'-C4'-C3' 111.344 -2.771 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.855 0 C4'-C3'-C2' 99.067 -3.633 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C4'-C3'-C2' 99.143 -3.557 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 O4'-C1'-N19 111.679 3.479 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.067 -3.633 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C4'-C3'-C2' 98.804 -3.896 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 O4'-C1'-N19 111.326 3.126 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 99.95 -2.75 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.41 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.717 1 C5'-C4'-C3' 109.221 -4.186 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . 0.41 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 100.031 -2.669 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . 0.401 " H2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 C3'-C2'-C1' 103.98 2.756 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C3'-C2'-C1' 103.567 2.296 . 0.14 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . 0.481 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 C4'-C3'-C2' 99.134 -3.566 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.901 0 C4'-C3'-C2' 100.042 -2.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 C4'-C3'-C2' 99.266 -3.434 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 1 C4'-C3'-C2' 98.674 -4.026 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.133 -3.567 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C4'-C3'-C2' 99.947 -2.753 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.617 -3.083 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.831 0 C4'-C3'-C2' 99.378 -3.322 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 100.169 -2.531 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ttp . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 111.137 0.051 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.78 127.69 49.48 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.525 HD11 " H5'" ' B' ' 67' ' ' ' C' . 4.5 mp -129.88 141.3 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 C-N-CA 123.201 0.6 . . . . 0.0 109.603 -171.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.53 163.52 32.75 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.236 176.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -94.88 155.46 16.77 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.434 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 1.0 OUTLIER -148.77 140.18 23.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.165 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -96.06 159.15 15.11 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.728 0.694 . . . . 0.0 110.452 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.526 HG11 HG12 ' A' ' 25' ' ' VAL . 27.5 m -52.25 140.48 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.86 -15.65 58.71 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 119.256 -0.747 . . . . 0.0 113.328 175.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -81.7 179.49 7.81 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.718 1.259 . . . . 0.0 111.005 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -138.71 170.22 16.38 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.427 0.632 . . . . 0.0 112.237 -174.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.4 mt -153.36 158.53 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 126.169 1.787 . . . . 0.0 107.555 -172.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -137.07 153.98 50.45 Favored 'General case' 0 C--O 1.231 0.086 0 O-C-N 122.125 -0.359 . . . . 0.0 110.65 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -146.54 146.77 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.631 0.772 . . . . 0.0 110.037 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.24 14.86 4.86 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.54 1.067 . . . . 0.0 114.82 171.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 54.5 12.87 0.58 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -140.44 8.19 2.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.364 0.665 . . . . 0.0 110.51 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.21 146.61 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -135.33 151.12 50.22 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -135.09 145.65 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -137.37 128.64 27.94 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.13 88.26 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.3 mt -63.71 -24.8 67.92 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.84 -177.67 42.02 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.475 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.526 HG12 HG11 ' A' ' 8' ' ' VAL . 11.7 p -137.65 146.84 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.451 0.7 . . . . 0.0 109.174 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -147.61 68.85 1.13 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.014 0.926 . . . . 0.0 108.55 -176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.31 -135.6 22.62 Favored Glycine 0 C--N 1.336 0.551 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -65.79 -17.7 64.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.859 176.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.432 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 2.5 tp-100 -86.33 149.4 25.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.684 0.674 . . . . 0.0 109.919 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -143.07 133.84 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -107.61 133.39 52.12 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -135.58 155.61 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.08 -170.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.88 153.52 19.37 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.8 mt -135.82 144.91 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -143.01 108.87 5.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.76 159.04 36.79 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.743 0.817 . . . . 0.0 109.095 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.52 150.38 88.66 Favored 'Trans proline' 0 N--CA 1.449 -1.104 0 C-N-CA 122.313 2.009 . . . . 0.0 109.782 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -68.97 -0.72 5.99 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.766 -0.584 . . . . 0.0 110.557 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -68.52 -7.68 34.48 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.19 0.996 . . . . 0.0 110.815 171.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -135.84 169.17 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.0 160.57 27.33 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.151 -0.343 . . . . 0.0 111.485 -173.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 m -144.86 131.62 15.53 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.062 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -156.37 167.08 31.56 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 117.886 0.312 . . . . 0.0 110.91 175.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -61.82 156.35 20.8 Favored 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 171.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -62.21 -37.36 85.05 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.157 -0.339 . . . . 0.0 111.07 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -72.49 -20.88 61.29 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.097 0.559 . . . . 0.0 112.0 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.5 mm -90.69 -30.32 4.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.484 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 78.1 t80 -61.31 -36.26 79.62 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.347 1.059 . . . . 0.0 111.454 -176.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -69.47 -18.44 63.71 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.769 -0.582 . . . . 0.0 112.014 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -80.65 -9.59 59.78 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 176.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.0 mt -110.7 -42.91 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 122.596 0.358 . . . . 0.0 110.985 -174.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.484 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 77.3 mm-40 -70.12 0.73 5.64 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.085 -0.384 . . . . 0.0 111.847 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.62 -15.97 63.26 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.72 15.44 0.06 OUTLIER Glycine 0 CA--C 1.527 0.842 0 CA-C-O 119.326 -0.708 . . . . 0.0 113.769 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -152.39 -170.12 3.55 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.4 1.1 . . . . 0.0 111.472 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m -134.53 -6.5 2.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.033 0.533 . . . . 0.0 110.517 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.92 112.66 2.52 Favored Pre-proline 0 CA--C 1.536 0.409 0 C-N-CA 123.272 0.629 . . . . 0.0 109.338 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.22 -167.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 125.224 3.949 . . . . 0.0 115.944 174.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 N--CA 1.45 -0.446 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.48 -172.024 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C5'-C4'-C3' 111.507 -2.662 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C4'-C3'-C2' 99.172 -3.528 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.328 -3.372 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.495 -3.205 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.29 -3.41 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C4'-C3'-C2' 98.904 -3.796 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 O4'-C1'-N19 111.062 2.862 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 100.273 -2.427 . 0.673 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . 0.42 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.612 1 O4'-C1'-N19 112.234 4.034 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . 0.42 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 C4'-C3'-C2' 99.984 -2.716 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.482 0 O4'-C1'-N19 111.15 2.95 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . 0.614 " H2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C3'-C2'-C1' 104.387 3.208 . 0.611 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . 0.614 H5'' " H2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.374 2 O5'-C5'-C4' 118.875 6.196 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . 0.548 " C5'" " H4'" ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.059 1 P-O3'-C3' 125.047 4.456 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C4'-C3'-C2' 99.237 -3.463 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.151 -3.549 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 0 C4'-C3'-C2' 99.453 -3.247 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 99.919 -2.781 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 C4'-C3'-C2' 99.386 -3.314 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.331 -3.369 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C4'-C3'-C2' 99.989 -2.711 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.466 ' HG2' HD11 ' C' ' 3' ' ' ILE . 15.3 tpp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 110.783 -0.08 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' C' ' 1' ' ' MET . 2.9 tm? -124.35 102.33 7.62 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 169.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.485 HD13 " H5'" ' D' ' 68' ' ' ' G' . 4.6 mp -85.04 150.6 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.553 0.741 . . . . 0.0 109.032 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.644 HD13 ' H ' ' C' ' 5' ' ' THR . 0.2 OUTLIER -154.77 165.66 35.91 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -173.035 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.644 ' H ' HD13 ' C' ' 4' ' ' LEU . 0.0 OUTLIER -134.42 146.34 49.75 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -148.63 162.57 39.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -175.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.432 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 41.6 mtmt -120.04 161.4 21.01 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.469 0.652 . . . . 0.0 110.448 172.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -56.6 129.02 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.317 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.94 7.05 56.75 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.463 -0.632 . . . . 0.0 113.099 178.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -115.29 179.48 3.95 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.322 1.061 . . . . 0.0 110.464 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.8 m -141.27 170.26 16.06 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -173.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 49.6 mt -143.58 165.83 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 126.513 1.925 . . . . 0.0 106.957 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -136.76 154.93 50.44 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-N 118.564 0.62 . . . . 0.0 111.808 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -139.64 146.44 25.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -137.71 42.05 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -135.27 17.17 3.42 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.956 0.502 . . . . 0.0 109.692 175.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -143.23 9.29 1.65 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.69 0.796 . . . . 0.0 111.597 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.03 149.08 33.36 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 CA-C-N 118.893 0.769 . . . . 0.0 110.819 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 45.4 m -139.3 154.54 47.94 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.6 mm -135.15 148.61 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -144.21 150.08 37.41 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -111.45 90.26 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.64 -24.64 63.66 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.225 -169.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.98 -177.77 40.34 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.607 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -127.27 161.67 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 CA-C-O 121.381 0.61 . . . . 0.0 110.731 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 56.9 m -151.17 64.4 0.9 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.36 -135.93 21.61 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.4 -14.98 62.1 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 117.463 0.631 . . . . 0.0 110.98 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -88.95 149.63 23.21 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.03 131.26 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -95.02 128.69 42.04 Favored 'General case' 0 CA--C 1.523 -0.087 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -131.38 154.44 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -170.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.33 149.79 17.54 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -136.75 140.05 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -141.75 104.37 4.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 -172.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.97 162.05 30.49 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 124.003 0.921 . . . . 0.0 109.372 -177.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.8 151.49 85.52 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.759 2.306 . . . . 0.0 110.352 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -67.76 -1.84 6.06 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.837 -0.539 . . . . 0.0 110.697 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -68.39 -7.76 34.34 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.921 0.889 . . . . 0.0 110.481 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -136.26 168.98 21.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.45 159.32 32.22 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 122.007 -0.433 . . . . 0.0 111.314 -174.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.53 130.32 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -157.12 162.2 39.41 Favored 'General case' 0 C--O 1.231 0.129 0 O-C-N 121.732 -0.605 . . . . 0.0 110.81 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -59.11 147.44 34.99 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 169.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.13 -22.4 64.64 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.27 0.486 . . . . 0.0 112.238 -175.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -72.21 -43.03 65.07 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.73 -0.606 . . . . 0.0 110.479 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.7 mm -73.58 -31.94 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.4 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 93.7 t80 -53.03 -38.3 62.27 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.98 0.912 . . . . 0.0 111.5 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -63.06 -14.4 47.71 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.576 0.75 . . . . 0.0 112.839 -174.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -80.2 -39.39 29.29 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.539 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.1 mp -71.34 -14.17 17.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 123.704 0.801 . . . . 0.0 109.644 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.4 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 49.1 mm-40 -102.58 0.66 33.75 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.37 -4.32 1.48 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -173.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.42 -10.61 0.03 OUTLIER Glycine 0 CA--C 1.526 0.767 0 CA-C-N 119.462 1.028 . . . . 0.0 113.153 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' C' ' 55' ' ' LEU . 0.0 OUTLIER 68.07 -178.14 0.21 Allowed 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.955 1.302 . . . . 0.0 111.289 169.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 74.0 p -135.39 7.54 3.34 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.842 0.457 . . . . 0.0 111.351 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.435 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -149.49 58.24 3.24 Favored Pre-proline 0 CA--C 1.534 0.327 0 C-N-CA 122.836 0.454 . . . . 0.0 111.363 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 84.4 Cg_exo -48.06 164.81 0.16 Allowed 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 123.987 3.125 . . . . 0.0 115.17 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t70 . . . . . 0 CA--C 1.53 0.186 0 C-N-CA 124.883 1.273 . . . . 0.0 113.276 -178.122 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.87 -2.83 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.252 -3.448 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.191 -3.509 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.386 3.186 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 98.918 -3.782 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 C4'-C3'-C2' 99.479 -3.221 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 O4'-C1'-N19 111.408 3.208 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 O4'-C1'-N19 111.191 2.991 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.54 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 O4'-C1'-N19 110.869 2.669 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . 0.54 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 C4'-C3'-C2' 99.312 -3.388 . 0.02 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 O4'-C1'-N19 110.601 2.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 C5'-C4'-C3' 110.569 -3.287 . 0.251 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.031 1 C5'-C4'-C3' 105.514 -6.657 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . 0.485 " H5'" HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.794 1 P-O3'-C3' 125.403 4.753 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.078 -3.622 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.462 1 C4'-C3'-C2' 98.26 -4.44 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.319 -3.381 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 100.085 -2.615 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C4'-C3'-C2' 99.539 -3.161 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 C4'-C3'-C2' 99.279 -3.421 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 0 C4'-C3'-C2' 99.648 -3.052 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HG2' HD11 ' A' ' 3' ' ' ILE . 11.9 tpp . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 120.353 0.121 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.8 tm? -127.35 105.35 8.47 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 171.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.474 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.0 mp -99.95 141.86 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.176 0.99 . . . . 0.0 110.179 -174.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.08 167.42 24.35 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.233 0.613 . . . . 0.0 110.583 173.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 p -98.98 160.31 14.35 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.258 0.551 . . . . 0.0 110.359 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -147.95 158.35 44.0 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 172.717 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -102.99 153.71 19.97 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.12 131.03 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.72 6.11 59.65 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 119.411 -0.661 . . . . 0.0 112.809 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -115.86 179.62 3.93 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.457 1.129 . . . . 0.0 110.792 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -135.27 171.57 14.24 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -169.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mt -153.06 159.86 3.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 127.31 2.244 . . . . 0.0 106.52 -171.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -138.07 154.96 49.23 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 118.696 0.68 . . . . 0.0 111.463 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -141.0 142.84 29.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 124.677 1.191 . . . . 0.0 108.733 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.69 -137.69 45.52 Favored Glycine 0 C--N 1.336 0.534 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -135.02 14.87 3.56 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.117 0.567 . . . . 0.0 110.45 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -140.03 8.31 2.28 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.577 0.751 . . . . 0.0 111.548 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.23 146.41 34.28 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 CA-C-N 118.867 0.758 . . . . 0.0 110.801 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.2 m -136.72 156.93 47.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.377 1.071 . . . . 0.0 108.294 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -137.66 146.84 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -140.83 145.04 35.73 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -104.91 90.52 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.24 -26.75 66.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -168.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.78 -177.04 39.02 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.818 176.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.2 m -125.72 162.24 29.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.404 0.621 . . . . 0.0 110.583 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -151.35 65.18 0.89 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.38 -135.92 21.59 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 109.014 -1.634 . . . . 0.0 109.014 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.68 -16.45 63.76 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.693 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.23 150.78 24.14 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -142.3 134.62 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttm-85 -99.37 128.5 45.49 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -132.45 155.05 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 -171.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.9 153.51 20.34 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' C' ' 1' ' ' MET . 73.7 mt -137.32 144.63 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -140.85 109.43 5.94 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.838 0.351 . . . . 0.0 110.473 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.48 159.64 32.35 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.529 1.132 . . . . 0.0 108.042 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -60.68 149.08 89.36 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 122.011 1.808 . . . . 0.0 108.897 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -61.41 -6.73 2.45 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.256 0.55 . . . . 0.0 110.186 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.58 -11.12 14.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.413 1.885 . . . . 0.0 112.459 176.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -132.29 172.05 17.03 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.93 152.19 31.19 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 122.211 -0.306 . . . . 0.0 110.967 -174.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.7 m -147.48 126.35 4.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -157.78 161.93 38.45 Favored 'General case' 0 N--CA 1.457 -0.106 0 O-C-N 121.782 -0.574 . . . . 0.0 110.956 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -65.54 153.37 41.67 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 172.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -59.07 -29.96 67.71 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.162 0.185 . . . . 0.0 111.466 -176.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -69.18 -40.84 77.86 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.305 0.242 . . . . 0.0 110.47 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -74.86 -31.35 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.498 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 86.8 t80 -57.61 -33.71 68.52 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.706 0.802 . . . . 0.0 111.59 -177.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.06 -18.4 63.28 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -86.35 -8.48 57.66 Favored 'General case' 0 N--CA 1.46 0.074 0 C-N-CA 122.814 0.446 . . . . 0.0 110.261 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.8 mt -110.7 -35.4 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 122.918 0.487 . . . . 0.0 111.08 -172.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.498 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 19.1 mm100 -78.57 1.89 21.06 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.227 -0.295 . . . . 0.0 111.082 175.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.94 -19.71 66.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.99 21.76 0.06 OUTLIER Glycine 0 C--N 1.34 0.753 0 CA-C-O 118.789 -1.006 . . . . 0.0 114.595 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 56' ' ' THR . 0.7 OUTLIER -145.78 -33.74 0.33 Allowed 'General case' 0 C--N 1.339 0.131 0 CA-C-N 119.388 1.594 . . . . 0.0 114.485 -174.084 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.405 ' N ' HD12 ' A' ' 55' ' ' LEU . 2.2 m 39.42 27.88 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.889 1.276 . . . . 0.0 113.785 -174.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.57 68.39 3.53 Favored Pre-proline 0 CA--C 1.536 0.41 0 O-C-N 121.866 -0.521 . . . . 0.0 110.961 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.98 166.39 0.38 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 124.07 3.18 . . . . 0.0 113.679 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.507 -177.474 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 C4'-C3'-C2' 99.634 -3.066 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.154 -3.546 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.154 -3.546 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.592 -3.108 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 98.736 -3.964 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 O4'-C1'-N19 111.192 2.992 . 0.482 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.823 0 O4'-C1'-N19 111.25 3.05 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 O4'-C1'-N19 111.499 3.299 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . 0.496 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C5'-C4'-C3' 109.987 -3.675 OUTLIER-DELTA 0.023 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . 0.496 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.9 -2.8 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . 0.401 " O2'" ' HE3' ' C' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 O4'-C1'-N19 110.788 2.588 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.318 0 C5'-C4'-C3' 110.714 -3.191 . 0.166 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.875 1 C5'-C4'-C3' 108.482 -4.679 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C5'-C4'-C3' 109.86 -3.76 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C4'-C3'-C2' 99.77 -2.93 . 0.524 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 98.993 -3.707 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 C4'-C3'-C2' 99.222 -3.478 . 0.595 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.834 -2.866 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.513 -3.187 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.513 -3.187 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 99.901 -2.799 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.507 ' HG2' HD11 ' C' ' 3' ' ' ILE . 12.4 tpp . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 120.483 0.182 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.436 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.1 tm? -128.85 106.11 8.69 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 172.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.507 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.9 mp -101.07 142.59 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 123.902 0.881 . . . . 0.0 109.369 -175.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp -162.28 -179.31 6.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.884 0.474 . . . . 0.0 110.632 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -119.68 152.41 37.17 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.491 0.662 . . . . 0.0 111.104 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.418 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.5 OUTLIER -145.7 168.63 20.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.523 1.529 . . . . 0.0 107.755 176.361 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -118.93 163.33 17.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 174.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.558 HG11 HG12 ' C' ' 25' ' ' VAL . 21.3 m -53.29 136.27 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.692 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.5 -13.89 65.37 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 123.485 0.564 . . . . 0.0 112.485 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -81.96 179.18 7.91 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.908 0.854 . . . . 0.0 111.165 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -140.93 168.85 18.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.379 0.609 . . . . 0.0 111.841 -176.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.421 HG22 ' H ' ' C' ' 13' ' ' ASN . 14.6 mt -143.47 170.05 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 125.603 1.561 . . . . 0.0 107.468 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ASN . . . . . 0.421 ' H ' HG22 ' C' ' 12' ' ' ILE . 8.8 t-20 -140.48 154.45 46.6 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.7 -0.625 . . . . 0.0 111.538 -176.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -140.46 138.64 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.07 -129.61 47.91 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 -175.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -141.58 15.5 2.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.037 0.535 . . . . 0.0 110.131 174.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -137.1 7.53 2.91 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.503 0.721 . . . . 0.0 111.526 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.06 143.68 40.3 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-N 118.395 0.543 . . . . 0.0 109.549 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 19.5 m -138.37 155.93 48.07 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -137.35 148.71 25.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -138.86 150.36 45.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -110.99 88.18 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.62 -24.84 67.14 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.262 -168.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.89 -179.01 42.49 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.392 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.558 HG12 HG11 ' C' ' 8' ' ' VAL . 11.6 p -132.69 145.53 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.081 0.552 . . . . 0.0 109.682 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -146.21 60.9 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.491 1.117 . . . . 0.0 108.87 -174.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.03 -136.14 23.68 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.79 -10.06 34.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.335 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -103.39 145.39 30.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 119.048 0.84 . . . . 0.0 109.302 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 31.8 t -135.45 141.12 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -105.47 126.99 52.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -130.78 155.39 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.917 -170.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.54 155.23 21.27 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 1' ' ' MET . 70.4 mt -136.59 144.98 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -140.0 108.25 5.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.14 158.96 32.76 Favored Pre-proline 0 N--CA 1.451 -0.379 0 C-N-CA 123.463 0.705 . . . . 0.0 109.954 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.88 151.5 85.53 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.254 2.636 . . . . 0.0 110.635 174.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' LYS . . . . . 0.401 ' HE3' " O2'" ' B' ' 65' ' ' ' G' . 20.7 mmtp -65.2 -4.52 5.21 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.014 -0.429 . . . . 0.0 110.681 175.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.01 -7.05 19.62 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.636 0.774 . . . . 0.0 110.872 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.33 165.55 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.22 156.29 29.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.078 -0.389 . . . . 0.0 110.922 -174.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 m -144.95 130.99 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -158.8 167.57 29.12 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 122.128 -0.358 . . . . 0.0 110.363 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -60.62 152.27 26.8 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 169.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.91 -23.13 67.22 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.927 0.785 . . . . 0.0 111.576 -178.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -73.12 -30.98 64.02 Favored 'General case' 0 CA--C 1.527 0.083 0 O-C-N 121.816 -0.552 . . . . 0.0 110.877 175.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.7 mm -90.32 -22.4 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.98 -29.52 69.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.896 0.478 . . . . 0.0 110.016 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -68.55 -14.29 62.91 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.904 0.482 . . . . 0.0 110.783 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' ARG . . . . . 0.49 ' C ' HD12 ' C' ' 51' ' ' ILE . 27.8 mmt180 -81.06 -7.15 59.5 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.67 -0.644 . . . . 0.0 110.348 176.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.49 HD12 ' C ' ' C' ' 50' ' ' ARG . 1.5 mp -110.57 -14.32 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 123.731 0.812 . . . . 0.0 109.295 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -115.16 -14.26 11.76 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -144.79 -2.1 0.84 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -175.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.64 52.23 0.37 Allowed Glycine 0 C--N 1.336 0.573 0 N-CA-C 110.169 -1.173 . . . . 0.0 110.169 -174.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.74 ' H ' HD22 ' C' ' 55' ' ' LEU . 0.3 OUTLIER -48.76 166.82 0.03 OUTLIER 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.873 1.669 . . . . 0.0 113.376 -172.694 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 44.5 p -58.97 -35.9 73.95 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.991 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.513 ' H ' ' CD ' ' C' ' 58' ' ' PRO . . . -173.58 -41.8 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 124.456 1.103 . . . . 0.0 111.669 173.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.513 ' CD ' ' H ' ' C' ' 57' ' ' ALA . 27.1 Cg_exo -65.88 -178.63 1.06 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.158 2.572 . . . . 0.0 113.611 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.233 174.467 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 C5'-C4'-C3' 111.293 -2.805 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.346 -3.354 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.29 -3.41 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 O4'-C1'-N19 111.465 3.265 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.166 -3.534 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 C4'-C3'-C2' 99.226 -3.474 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 111.291 3.091 . 0.545 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 O4'-C1'-N19 111.131 2.931 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.412 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 O4'-C1'-N19 111.437 3.237 . 0.491 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . 0.412 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 99.242 -3.458 . 0.012 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 N19-C1'-C2' 109.221 -2.612 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.331 0 C5'-C4'-C3' 111.463 -2.691 . 0.134 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.942 1 C5'-C4'-C3' 108.952 -4.365 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C5'-C4'-C3' 109.977 -3.682 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.338 -3.362 . 0.591 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 98.732 -3.968 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.358 -3.342 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.931 -2.769 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 99.445 -3.255 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 99.313 -3.387 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C4'-C3'-C2' 100.146 -2.554 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.437 ' HG2' HD11 ' A' ' 3' ' ' ILE . 10.3 tpp . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.1 tm? -125.63 103.52 7.89 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 172.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.488 ' CD1' " H4'" ' B' ' 67' ' ' ' C' . 4.4 mp -93.18 151.5 3.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 125.043 1.337 . . . . 0.0 110.442 -174.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt -151.28 175.99 11.67 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 124.107 0.963 . . . . 0.0 111.403 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 p -128.77 122.66 31.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 167.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -123.19 136.14 54.62 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.673 0.789 . . . . 0.0 109.512 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -82.96 156.17 23.61 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 176.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.676 HG11 HG12 ' A' ' 25' ' ' VAL . 14.3 m -57.0 133.0 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.26 2.68 65.78 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.323 -0.709 . . . . 0.0 113.43 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -106.18 179.61 4.22 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.336 1.068 . . . . 0.0 110.552 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -137.69 171.38 14.53 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -170.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -152.09 165.49 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 126.93 2.092 . . . . 0.0 107.037 -173.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -140.27 154.75 46.95 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 121.556 -0.715 . . . . 0.0 111.737 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -140.64 140.16 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.83 -136.38 47.76 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 -177.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -136.44 17.49 3.15 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -141.25 6.3 1.92 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.95 0.5 . . . . 0.0 111.544 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.78 147.73 33.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 118.649 0.659 . . . . 0.0 110.38 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -137.7 151.67 48.47 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.7 mm -135.41 149.2 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.9 m -143.96 151.7 40.1 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.64 87.32 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.29 -25.23 68.21 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -168.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.69 -174.53 43.95 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.531 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.676 HG12 HG11 ' A' ' 8' ' ' VAL . 13.8 p -141.67 144.04 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.579 0.752 . . . . 0.0 109.855 -176.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -148.18 71.22 1.16 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.024 0.93 . . . . 0.0 108.676 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.7 -138.61 28.86 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 -175.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -66.11 -17.32 64.63 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.921 -0.561 . . . . 0.0 110.707 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.91 148.63 25.69 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -144.36 133.92 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -176.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -101.69 131.37 47.99 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -129.33 150.21 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.534 -169.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.13 145.8 17.23 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -137.27 144.2 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -144.06 104.51 4.14 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.24 159.55 33.37 Favored Pre-proline 0 N--CA 1.454 -0.253 0 C-N-CA 123.629 0.772 . . . . 0.0 109.858 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -66.93 153.38 78.11 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.501 2.801 . . . . 0.0 110.701 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -64.68 -1.34 1.82 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.072 -0.392 . . . . 0.0 110.213 173.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -66.42 -10.84 47.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.314 1.046 . . . . 0.0 110.301 173.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -138.07 167.99 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 124.582 1.153 . . . . 0.0 107.921 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.61 154.69 36.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.14 -0.35 . . . . 0.0 110.68 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -145.06 128.09 10.89 Favored 'Isoleucine or valine' 0 C--O 1.229 0.026 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -157.57 163.24 38.55 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.865 0.364 . . . . 0.0 111.054 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -64.23 156.13 29.7 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 169.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -58.59 -30.33 67.12 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.374 -0.204 . . . . 0.0 111.544 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -72.05 -42.18 66.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.956 -0.465 . . . . 0.0 111.618 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.81 -27.3 16.62 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.095 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -58.38 -38.73 77.9 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -62.79 -15.93 55.95 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.7 mmm-85 -76.0 -39.79 55.05 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.1 mp -69.78 -17.86 21.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.725 177.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -96.86 -1.45 46.01 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.13 -3.63 1.07 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -173.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.76 -12.79 0.02 OUTLIER Glycine 0 C--N 1.336 0.541 0 CA-C-N 119.747 1.158 . . . . 0.0 113.666 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 66.27 -174.99 0.19 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.736 1.214 . . . . 0.0 111.741 169.519 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -131.08 4.88 4.46 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.167 0.587 . . . . 0.0 110.969 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.431 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -156.12 53.79 0.83 Allowed Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 123.573 0.749 . . . . 0.0 111.345 177.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 89.6 Cg_exo -44.97 142.98 4.87 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.456 2.771 . . . . 0.0 113.595 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 125.46 1.504 . . . . 0.0 114.941 176.014 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C5'-C4'-C3' 111.273 -2.818 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.553 -3.147 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 C4'-C3'-C2' 99.435 -3.265 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 111.53 3.33 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 C4'-C3'-C2' 98.935 -3.765 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.7 -3.0 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.756 -2.944 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 99.39 -3.31 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 0 C5'-C4'-C3' 110.595 -3.27 . 0.304 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.839 0 C5'-C4'-C3' 109.565 -3.957 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.857 0 C3'-C2'-C1' 103.849 2.609 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . 0.402 ' C8 ' ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.096 0 C5'-C4'-C3' 110.135 -3.576 . 0.147 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . 0.488 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 C5'-C4'-C3' 110.845 -3.103 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 C4'-C3'-C2' 100.145 -2.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.177 -3.523 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 1 C4'-C3'-C2' 98.347 -4.353 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.245 -3.455 . 0.544 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C4'-C3'-C2' 99.514 -3.186 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 99.462 -3.238 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.513 -3.187 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 100.03 -2.67 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mmm . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 121.038 0.447 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -135.92 114.41 11.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 168.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -113.42 142.14 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 C-N-CA 123.324 0.65 . . . . 0.0 109.742 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -161.85 171.1 18.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.923 0.489 . . . . 0.0 110.674 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.4 p -104.95 157.94 16.88 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.601 0.715 . . . . 0.0 110.726 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 4.8 tpm_? -147.09 164.14 34.04 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -124.48 157.39 35.38 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.527 0.603 . . . . 0.0 110.157 172.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -53.05 126.6 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.451 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.28 8.93 54.52 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-O 119.488 -0.618 . . . . 0.0 112.926 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -116.19 177.84 4.54 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.203 1.001 . . . . 0.0 110.016 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -138.82 168.84 18.93 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -171.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -144.02 164.25 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.193 1.797 . . . . 0.0 106.695 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -137.67 151.52 48.35 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 121.723 -0.611 . . . . 0.0 110.811 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -145.77 142.51 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.471 0.708 . . . . 0.0 110.24 -177.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.1 13.96 7.56 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.129 0.871 . . . . 0.0 114.592 172.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 55.62 12.17 0.76 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.49 1.116 . . . . 0.0 113.731 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -139.48 5.71 2.25 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.451 0.7 . . . . 0.0 110.635 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -132.17 148.25 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 12.3 m -138.22 154.25 49.1 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.0 mm -133.36 144.74 35.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m -139.07 128.4 24.17 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -84.86 92.42 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 38.4 mt -69.9 -24.05 63.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.511 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.21 -177.52 39.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 177.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -124.17 162.89 24.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 121.651 0.739 . . . . 0.0 110.67 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.4 t -150.88 59.02 0.92 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.32 -132.53 18.74 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -177.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -65.42 -12.33 51.3 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 118.958 -0.544 . . . . 0.0 110.984 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -98.42 147.76 24.39 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.9 t -135.92 130.91 49.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 -177.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -93.17 127.56 38.78 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -135.39 155.27 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -171.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.66 158.1 22.4 Favored Glycine 0 C--N 1.333 0.4 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 1' ' ' MET . 61.2 mt -135.86 144.59 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -139.23 110.67 7.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.26 160.1 31.85 Favored Pre-proline 0 N--CA 1.45 -0.462 0 C-N-CA 123.49 0.716 . . . . 0.0 109.58 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.81 153.29 78.76 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.031 2.487 . . . . 0.0 109.981 173.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -67.42 -0.35 3.61 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 122.113 -0.367 . . . . 0.0 110.024 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.38 -11.98 54.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.591 1.156 . . . . 0.0 109.962 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 m -139.01 169.61 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.559 1.144 . . . . 0.0 108.354 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.6 158.1 29.31 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.493 0.187 . . . . 0.0 110.861 -175.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -145.47 130.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.34 0.169 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -156.86 164.13 38.41 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 118.024 0.374 . . . . 0.0 110.558 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -64.04 156.22 28.8 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 171.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -60.5 -24.0 64.96 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.254 -0.279 . . . . 0.0 111.457 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -68.82 -50.7 47.9 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.848 -0.532 . . . . 0.0 110.491 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.0 -27.97 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -173.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 73.7 t80 -61.3 -38.19 85.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 122.649 0.38 . . . . 0.0 110.697 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -71.21 -17.37 62.51 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -81.76 -10.6 59.31 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 122.676 0.391 . . . . 0.0 110.268 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 95.4 mt -110.02 -44.14 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 122.311 0.244 . . . . 0.0 110.374 -173.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.52 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 47.2 mm-40 -69.91 1.54 4.36 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.261 -0.274 . . . . 0.0 111.612 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.53 -15.73 63.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.875 0.47 . . . . 0.0 111.476 175.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.13 15.74 0.09 OUTLIER Glycine 0 CA--C 1.529 0.939 0 CA-C-O 118.923 -0.932 . . . . 0.0 114.557 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -154.51 -176.72 6.03 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 118.922 1.361 . . . . 0.0 112.762 -172.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -144.73 6.72 1.23 Allowed 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.043 0.937 . . . . 0.0 110.613 174.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.99 126.17 4.16 Favored Pre-proline 0 N--CA 1.451 -0.421 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -51.83 173.09 0.11 Allowed 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 124.407 3.405 . . . . 0.0 113.91 173.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.232 0.184 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.251 -178.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 100.138 -2.562 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C4'-C3'-C2' 99.156 -3.544 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.394 0 C4'-C3'-C2' 99.331 -3.369 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 99.67 -3.03 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 C4'-C3'-C2' 99.037 -3.663 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C4'-C3'-C2' 99.205 -3.495 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 O4'-C1'-N19 111.388 3.188 . 0.594 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O4'-C1'-N19 111.515 3.315 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 111.395 3.195 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.349 -3.351 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C3'-C2'-C1' 103.876 2.64 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 0 C5'-C4'-C3' 111.686 -2.543 . 0.152 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 1 C5'-C4'-C3' 108.237 -4.842 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C5'-C4'-C3' 110.515 -3.324 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.368 -3.332 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 1 C4'-C3'-C2' 98.659 -4.041 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.345 -3.355 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.672 -3.028 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.374 -3.326 . 0.863 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.274 -3.426 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.897 -2.803 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.411 ' CE ' ' C6 ' ' B' ' 67' ' ' ' C' . 13.4 ttp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 119.71 -0.186 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -119.43 125.46 49.01 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.4 HD11 " H5'" ' B' ' 67' ' ' ' C' . 4.6 mp -125.8 144.36 36.15 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 123.244 0.618 . . . . 0.0 110.137 -170.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.39 168.66 24.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.716 0.806 . . . . 0.0 109.389 174.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.7 p -104.31 157.34 17.21 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.868 174.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 2.4 tpm_? -147.39 139.15 24.12 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -86.0 156.32 20.49 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -58.45 133.79 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.084 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.16 4.99 60.97 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.411 -0.661 . . . . 0.0 112.857 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -114.46 177.59 4.59 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.248 1.024 . . . . 0.0 110.401 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -137.26 171.29 14.71 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -169.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.4 mt -144.7 166.76 11.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 126.589 1.956 . . . . 0.0 106.727 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -142.34 154.26 44.52 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 121.568 -0.708 . . . . 0.0 112.119 -176.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.8 mt -146.5 151.08 14.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 C-N-CA 123.815 0.846 . . . . 0.0 110.2 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 15.19 9.72 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.457 1.027 . . . . 0.0 114.9 169.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 55.96 12.01 0.83 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.225 1.01 . . . . 0.0 113.581 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -144.74 8.02 1.28 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.543 0.737 . . . . 0.0 111.157 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.22 149.82 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-O 121.447 0.641 . . . . 0.0 109.659 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -137.07 150.31 47.96 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.5 mm -132.91 146.5 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -143.22 126.7 16.82 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -80.25 89.39 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.64 -29.79 70.8 Favored 'General case' 0 C--N 1.338 0.083 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.513 -171.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.38 -178.54 40.85 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.5 m -129.98 161.58 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-O 121.094 0.473 . . . . 0.0 110.769 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -150.3 73.16 1.13 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.02 -137.89 26.01 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -175.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -66.23 -14.26 61.66 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.124 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -83.03 151.62 25.74 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 118.741 0.701 . . . . 0.0 109.162 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.6 t -142.97 127.89 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.0 ttm-85 -96.3 132.69 41.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -132.85 147.21 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -170.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.13 149.87 18.72 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.3 mt -138.26 144.08 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.414 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -144.65 106.11 4.24 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.68 158.07 37.9 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.468 0.707 . . . . 0.0 109.547 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.8 151.25 86.41 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 123.05 2.5 . . . . 0.0 110.305 175.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HE3' " H2'" ' D' ' 65' ' ' ' G' . 18.3 mmtm -64.76 -7.14 9.79 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.049 -0.407 . . . . 0.0 110.661 176.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.75 -7.2 19.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.119 0.968 . . . . 0.0 110.928 174.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.89 169.03 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.36 155.73 30.18 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.99 -0.444 . . . . 0.0 111.23 -173.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.4 m -146.33 126.6 6.06 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -158.3 169.89 23.47 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 121.776 -0.577 . . . . 0.0 111.534 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.456 ' HA ' HD13 ' C' ' 12' ' ' ILE . 34.4 mtm180 -68.49 153.09 44.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 170.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -58.71 -28.8 66.14 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.724 0.41 . . . . 0.0 111.54 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.54 -43.24 77.09 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.55 0.34 . . . . 0.0 110.897 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -75.81 -27.63 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -176.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.48 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 82.9 t80 -61.05 -33.62 73.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.327 0.651 . . . . 0.0 111.413 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.64 -17.69 62.24 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 117.985 0.357 . . . . 0.0 111.772 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -86.42 -8.81 57.33 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.819 0.447 . . . . 0.0 110.093 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.7 mt -110.84 -33.21 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.145 0.578 . . . . 0.0 110.297 -174.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.48 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 24.5 mm100 -82.5 3.34 28.79 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.281 -0.262 . . . . 0.0 110.931 175.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.29 -18.41 63.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.02 20.89 0.09 OUTLIER Glycine 0 C--N 1.342 0.883 0 CA-C-O 118.705 -1.053 . . . . 0.0 114.432 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.78 -26.4 0.41 Allowed 'General case' 0 N--CA 1.461 0.087 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 -172.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 m 33.85 43.66 0.07 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.164 0.986 . . . . 0.0 113.107 -172.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.94 77.18 11.16 Favored Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 123.268 0.627 . . . . 0.0 110.328 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.37 169.92 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 124.308 3.339 . . . . 0.0 113.803 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.818 -179.718 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 99.996 -2.704 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 0 C4'-C3'-C2' 99.084 -3.616 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 0 C4'-C3'-C2' 99.079 -3.621 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 111.287 3.087 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 98.726 -3.974 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.882 -2.818 . 0.519 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.946 -2.754 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 100.095 -2.605 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 1 C3'-C2'-C1' 105.52 4.467 OUTLIER-DELTA 0.15 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 C4'-C3'-C2' 99.742 -2.958 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . 0.569 " H2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 C3'-C2'-C1' 104.056 2.84 . 0.483 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . 0.569 H5'' " H2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.253 2 O5'-C5'-C4' 117.316 5.083 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . 0.494 " C5'" " H4'" ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.068 1 P-O3'-C3' 124.721 4.184 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.943 -2.757 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C4'-C3'-C2' 98.768 -3.932 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C4'-C3'-C2' 99.512 -3.188 . 0.595 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.97 -2.73 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.549 -3.151 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.392 -3.308 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C4'-C3'-C2' 99.973 -2.727 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.7 mmm . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.851 0.358 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.88 114.27 11.65 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 168.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -114.1 143.92 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.71 0.804 . . . . 0.0 110.223 -172.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -164.84 -178.66 5.36 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.177 0.591 . . . . 0.0 110.56 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.9 p -121.11 157.32 30.38 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.345 0.593 . . . . 0.0 111.561 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.421 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.2 OUTLIER -146.61 165.3 29.92 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.029 1.732 . . . . 0.0 107.594 176.625 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -117.92 161.53 19.61 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 170.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.507 HG11 HG12 ' C' ' 25' ' ' VAL . 27.7 m -49.8 130.22 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 O-C-N 123.047 0.217 . . . . 0.0 110.972 178.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.19 6.94 59.83 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 119.482 -0.621 . . . . 0.0 113.042 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -111.84 175.34 5.47 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.106 0.953 . . . . 0.0 110.409 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -139.28 168.61 19.45 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 44' ' ' ARG . 37.4 mm -140.39 163.01 23.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 126.565 1.946 . . . . 0.0 106.428 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -132.91 153.47 51.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.559 0.618 . . . . 0.0 111.1 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.2 mt -140.11 138.89 37.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.55 -133.15 51.88 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -176.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -138.31 16.85 2.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.198 0.599 . . . . 0.0 110.224 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -141.33 6.92 1.94 Allowed 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.732 0.813 . . . . 0.0 111.75 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.17 145.66 35.05 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 CA-C-N 118.918 0.781 . . . . 0.0 110.351 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 20.2 m -139.77 155.7 47.16 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.9 mm -136.36 148.08 27.48 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.3 m -144.14 131.16 20.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -81.99 97.41 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -72.52 -28.58 62.96 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -171.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.6 177.76 42.22 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 121.748 -0.263 . . . . 0.0 112.844 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.507 HG12 HG11 ' C' ' 8' ' ' VAL . 13.8 p -142.01 139.76 30.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.454 0.701 . . . . 0.0 110.509 -178.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.5 m -151.08 118.36 5.98 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.83 -144.48 34.67 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -173.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -79.36 -4.97 53.47 Favored 'General case' 0 N--CA 1.458 -0.069 0 CA-C-N 117.359 0.579 . . . . 0.0 111.856 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -88.29 143.44 27.03 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.339 0.59 . . . . 0.0 109.679 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 34.9 t -133.93 121.28 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.574 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -87.09 127.18 35.13 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -132.63 152.55 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -172.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.09 154.86 17.2 Favored Glycine 0 C--N 1.335 0.506 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.5 mt -138.29 136.7 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -137.24 103.05 4.99 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -172.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.68 161.66 28.94 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 123.765 0.826 . . . . 0.0 109.721 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -66.82 154.7 73.63 Favored 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.113 2.542 . . . . 0.0 110.238 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -67.32 -0.2 3.37 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 122.016 -0.427 . . . . 0.0 110.395 173.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -66.57 -10.8 48.97 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.472 1.109 . . . . 0.0 110.454 173.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -137.16 169.1 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.557 1.143 . . . . 0.0 108.274 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.15 156.01 34.57 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.535 0.207 . . . . 0.0 110.955 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.3 133.99 19.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -154.06 159.91 41.76 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.388 0.613 . . . . 0.0 111.541 176.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -61.17 144.87 52.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.22 -23.94 62.73 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -172.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.23 -23.07 47.56 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.823 -0.548 . . . . 0.0 111.542 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.9 -28.75 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.194 0.598 . . . . 0.0 109.443 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.487 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 79.0 t80 -63.83 -36.63 84.53 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.426 1.091 . . . . 0.0 111.527 -176.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -70.44 -15.72 62.86 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -80.88 -9.93 59.77 Favored 'General case' 0 CA--C 1.523 -0.089 0 C-N-CA 122.822 0.449 . . . . 0.0 110.054 175.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 90.2 mt -110.59 -42.67 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 123.173 0.589 . . . . 0.0 110.79 -174.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.487 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 68.8 mm-40 -69.07 1.12 3.8 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 121.987 -0.446 . . . . 0.0 111.666 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.13 -16.75 63.83 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.004 0.522 . . . . 0.0 111.617 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.89 15.09 0.08 OUTLIER Glycine 0 CA--C 1.527 0.816 0 CA-C-O 119.0 -0.889 . . . . 0.0 114.288 176.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -155.11 -176.83 6.14 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.021 1.411 . . . . 0.0 112.431 -171.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 24.7 p -147.94 0.88 0.65 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.034 0.934 . . . . 0.0 111.213 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.32 72.0 5.02 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 122.767 0.427 . . . . 0.0 110.868 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.4 171.85 0.37 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 124.012 3.141 . . . . 0.0 114.108 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 28.8 t70 . . . . . 0 CA--C 1.531 0.228 0 C-N-CA 123.816 0.846 . . . . 0.0 111.901 -179.869 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.157 -3.543 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.226 -3.474 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.308 -3.392 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 O4'-C1'-N19 111.348 3.148 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.154 -3.546 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 C4'-C3'-C2' 99.119 -3.581 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.763 -2.937 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 0 C4'-C3'-C2' 99.803 -2.897 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 O4'-C1'-N19 111.257 3.057 . 0.277 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C5'-C4'-C3' 109.825 -3.784 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . 0.453 " H2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.952 1 C3'-C2'-C1' 105.163 4.069 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 C5'-C4'-C3' 111.676 -2.55 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 1 C5'-C4'-C3' 104.78 -7.147 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 1 P-O3'-C3' 125.828 5.106 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 C4'-C3'-C2' 99.137 -3.563 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 98.868 -3.832 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.223 -3.477 . 0.548 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C4'-C3'-C2' 99.836 -2.864 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 99.373 -3.327 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.429 -3.271 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 O4'-C1'-N19 111.197 2.997 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.463 ' HE1' ' HA3' ' C' ' 33' ' ' GLY . 1.6 mmm . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 119.92 -0.086 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -128.91 112.93 14.61 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.5 mp -107.06 149.84 10.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 124.392 1.077 . . . . 0.0 110.124 -171.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt -149.47 177.92 9.27 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 124.117 0.967 . . . . 0.0 111.161 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -127.35 120.03 27.59 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 167.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.421 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 9.4 mmp_? -117.19 164.0 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.082 172.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -110.8 152.99 25.99 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.1 m -56.79 116.63 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.203 0.525 . . . . 0.0 110.146 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.18 -17.71 19.17 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.805 0.717 . . . . 0.0 112.186 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -79.51 174.34 11.68 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 117.6 0.7 . . . . 0.0 111.063 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.5 m -139.02 165.47 27.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.255 0.55 . . . . 0.0 111.512 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' C' ' 44' ' ' ARG . 32.4 mm -143.29 161.09 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.966 1.706 . . . . 0.0 107.156 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -135.37 155.76 50.06 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.381 0.61 . . . . 0.0 111.354 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.3 mt -141.04 147.7 22.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 114.481 -1.236 . . . . 0.0 108.786 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.7 -136.49 47.32 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -133.16 12.32 4.24 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -146.28 11.54 1.17 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.557 0.743 . . . . 0.0 112.132 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.96 146.19 34.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 119.026 0.83 . . . . 0.0 110.681 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.8 m -139.8 155.52 47.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.161 0.985 . . . . 0.0 108.352 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -137.09 148.59 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -177.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -143.44 129.73 19.87 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -83.97 100.52 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -74.6 -26.89 60.21 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -171.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.96 -176.84 39.93 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.638 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.93 162.25 36.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 121.062 0.458 . . . . 0.0 110.866 177.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -150.97 68.78 0.95 Allowed 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.37 -135.88 22.89 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.65 -16.29 63.59 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 118.677 -0.678 . . . . 0.0 110.536 177.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.433 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 3.3 tp-100 -82.76 147.73 28.25 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 118.802 0.728 . . . . 0.0 109.301 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -141.19 121.53 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -91.56 130.35 37.39 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -134.08 155.26 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -172.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.65 156.45 20.56 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.199 -1.16 . . . . 0.0 110.199 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.2 mt -135.57 144.53 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -139.84 107.75 5.69 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.38 161.8 28.3 Favored Pre-proline 0 N--CA 1.452 -0.351 0 C-N-CA 123.651 0.78 . . . . 0.0 108.997 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.88 154.27 74.63 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.794 2.329 . . . . 0.0 110.129 174.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -68.94 0.19 4.78 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 121.971 -0.456 . . . . 0.0 109.86 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.32 -9.95 38.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.371 1.069 . . . . 0.0 110.625 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -136.1 169.55 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.513 1.125 . . . . 0.0 108.787 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.27 154.64 31.94 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.273 -0.267 . . . . 0.0 110.863 -176.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -144.86 132.95 16.99 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -156.58 160.84 39.82 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.793 0.33 . . . . 0.0 110.472 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -64.01 149.65 46.96 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 170.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -58.25 -23.68 56.85 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.79 -32.96 70.22 Favored 'General case' 0 N--CA 1.457 -0.095 0 O-C-N 121.978 -0.451 . . . . 0.0 111.114 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -90.33 -34.63 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 C-N-CA 122.723 0.409 . . . . 0.0 109.958 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.457 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 85.6 t80 -54.15 -36.69 63.59 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.858 0.863 . . . . 0.0 111.874 -176.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -60.85 -15.31 28.98 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -176.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -83.83 -40.85 18.17 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.2 mp -68.66 -16.38 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.938 0.895 . . . . 0.0 109.923 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 57.2 mm-40 -103.42 3.45 35.06 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 177.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -137.95 -4.95 1.72 Allowed 'General case' 0 C--N 1.342 0.27 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -174.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.32 -10.8 0.03 OUTLIER Glycine 0 CA--C 1.526 0.76 0 CA-C-N 119.392 0.997 . . . . 0.0 112.856 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' N ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 72.93 166.63 0.3 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.825 1.65 . . . . 0.0 111.658 169.821 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.6 p -142.22 8.77 1.84 Allowed 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.392 0.677 . . . . 0.0 111.142 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.08 60.37 4.28 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 122.765 0.426 . . . . 0.0 111.667 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -46.57 -32.54 11.73 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 124.181 3.254 . . . . 0.0 114.196 177.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t0 . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -174.643 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 C4'-C3'-C2' 99.348 -3.352 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 C4'-C3'-C2' 99.182 -3.518 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.306 -3.394 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 C4'-C3'-C2' 99.105 -3.595 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.137 -3.563 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.969 0 O4'-C1'-N19 110.901 2.701 . 0.585 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 O4'-C1'-N19 111.36 3.16 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 C4'-C3'-C2' 99.463 -3.237 . 0.658 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C5'-C4'-C3' 110.811 -3.126 . 0.297 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C5'-C4'-C3' 110.174 -3.551 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O4'-C1'-N19 110.792 2.592 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . 0.607 " H2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C3'-C2'-C1' 104.599 3.443 . 0.498 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . 0.607 H5'' " H2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.452 2 O5'-C5'-C4' 118.273 5.766 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . 0.587 " C5'" " H4'" ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.024 1 P-O3'-C3' 125.15 4.541 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.25 -3.45 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 1 C4'-C3'-C2' 98.509 -4.191 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.265 -3.435 . 0.557 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C4'-C3'-C2' 99.901 -2.799 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.42 -3.28 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 C4'-C3'-C2' 99.524 -3.176 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.909 -2.791 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.505 ' HG2' HD11 ' C' ' 3' ' ' ILE . 13.7 tpp . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 120.439 0.161 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.2 tm? -126.83 106.77 9.57 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 171.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.505 HD11 ' HG2' ' C' ' 1' ' ' MET . 5.0 mp -100.6 142.28 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 124.114 0.966 . . . . 0.0 110.428 -175.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.59 170.05 20.52 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.19 0.596 . . . . 0.0 110.706 175.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -105.59 157.99 17.01 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.266 0.555 . . . . 0.0 111.838 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 3.0 tpm_? -147.95 164.17 34.57 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.724 1.21 . . . . 0.0 108.004 174.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.433 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 39.1 mtmt -121.87 161.31 23.0 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 118.504 0.593 . . . . 0.0 110.196 174.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.521 HG11 HG12 ' C' ' 25' ' ' VAL . 35.0 m -51.94 133.29 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.335 -176.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.23 4.98 66.03 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 119.414 -0.659 . . . . 0.0 113.301 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -114.12 -177.86 3.23 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.432 1.116 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 20.0 m -139.16 171.56 14.12 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -171.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.401 HG22 ' N ' ' C' ' 13' ' ' ASN . 62.8 mt -144.43 166.56 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 126.635 1.974 . . . . 0.0 106.827 -179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ASN . . . . . 0.401 ' N ' HG22 ' C' ' 12' ' ' ILE . 22.1 m120 -140.67 153.12 45.86 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.722 0.692 . . . . 0.0 112.452 -176.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -148.12 149.29 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.23 1.012 . . . . 0.0 110.093 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.69 14.72 5.42 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.652 1.12 . . . . 0.0 115.354 170.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 55.1 11.77 0.56 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -143.13 8.91 1.66 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.615 0.766 . . . . 0.0 110.543 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.37 148.63 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.1 m -136.92 149.61 47.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.1 mm -130.29 148.96 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -140.37 149.6 42.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -175.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -111.53 84.78 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.61 -23.5 67.28 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.154 -170.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.26 179.23 41.64 Favored Glycine 0 C--N 1.335 0.498 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.521 HG12 HG11 ' C' ' 8' ' ' VAL . 11.6 p -132.38 144.97 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -147.2 66.58 1.14 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.1 0.96 . . . . 0.0 108.585 -174.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.18 -138.44 26.63 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.95 -10.05 35.56 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.162 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -102.2 148.09 25.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 119.235 0.925 . . . . 0.0 109.37 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.8 t -138.99 128.86 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -175.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -90.4 126.43 35.88 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -128.73 152.26 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.545 -169.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.463 ' HA3' ' HE1' ' A' ' 1' ' ' MET . . . -121.94 153.46 16.78 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -139.97 140.85 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -144.4 104.6 4.1 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.37 159.68 41.26 Favored Pre-proline 0 N--CA 1.453 -0.315 0 C-N-CA 124.118 0.967 . . . . 0.0 109.222 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -63.83 150.25 88.85 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 122.553 2.169 . . . . 0.0 110.131 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -68.7 -1.12 6.23 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.243 -0.285 . . . . 0.0 110.343 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -67.74 -8.13 32.97 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.018 0.927 . . . . 0.0 110.914 171.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -135.55 169.3 21.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 176.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.52 160.25 27.39 Favored 'General case' 0 N--CA 1.457 -0.083 0 O-C-N 122.045 -0.41 . . . . 0.0 111.133 -173.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 m -144.02 134.39 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -157.15 168.24 28.01 Favored 'General case' 0 N--CA 1.46 0.061 0 CA-C-N 117.836 0.289 . . . . 0.0 110.437 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.472 ' HA ' HD13 ' A' ' 12' ' ' ILE . 77.3 ttt180 -67.02 154.4 41.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 172.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -56.54 -23.97 43.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.271 0.628 . . . . 0.0 111.994 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.26 -47.45 23.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.635 0.255 . . . . 0.0 110.753 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 mm -71.02 -30.59 41.97 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.073 0 O-C-N 122.016 -0.428 . . . . 0.0 109.968 -176.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.477 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 83.1 t80 -59.16 -34.95 72.69 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.17 0.988 . . . . 0.0 112.008 -176.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -71.54 -16.76 62.33 Favored 'General case' 0 CA--C 1.528 0.132 0 O-C-N 122.081 -0.387 . . . . 0.0 111.953 -177.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -85.76 -7.52 58.71 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 122.88 0.472 . . . . 0.0 110.161 175.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 92.2 mt -110.63 -42.08 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 122.563 0.345 . . . . 0.0 110.884 -173.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.477 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 80.5 mm-40 -70.94 2.1 4.77 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.745 -0.597 . . . . 0.0 111.76 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.4 -16.03 63.77 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.944 0.498 . . . . 0.0 112.156 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.13 15.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 CA-C-O 119.364 -0.687 . . . . 0.0 113.973 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -153.49 -171.14 3.81 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.656 1.228 . . . . 0.0 111.443 -173.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 32.0 m -146.42 127.14 14.31 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 122.399 0.279 . . . . 0.0 110.668 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 22.03 65.59 0.32 Allowed Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 126.407 1.883 . . . . 0.0 114.836 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.62 172.81 0.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.828 3.019 . . . . 0.0 113.825 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.508 176.946 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.915 -2.785 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.192 -3.508 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 99.331 -3.369 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C4'-C3'-C2' 99.42 -3.28 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 C4'-C3'-C2' 98.99 -3.71 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 98.883 -3.817 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.497 0 O4'-C1'-N19 111.436 3.236 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 C4'-C3'-C2' 100.043 -2.657 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.453 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.671 1 C5'-C4'-C3' 109.111 -4.259 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . 0.453 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C5'-C4'-C3' 111.424 -2.717 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 0 O4'-C1'-N19 110.811 2.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 0 C5'-C4'-C3' 111.17 -2.886 . 0.15 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.887 1 C5'-C4'-C3' 108.717 -4.522 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.523 0 C5'-C4'-C3' 110.231 -3.513 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.539 -3.161 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.035 -3.665 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C4'-C3'-C2' 99.541 -3.159 . 0.56 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.771 -2.929 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.532 -3.168 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.475 -3.225 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 100.177 -2.523 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.559 ' HG2' HD11 ' A' ' 3' ' ' ILE . 16.0 tpp . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.189 0.042 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.1 tm? -127.41 104.92 8.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 171.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.559 HD11 ' HG2' ' A' ' 1' ' ' MET . 4.7 mp -96.35 151.15 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.465 1.106 . . . . 0.0 110.172 -174.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.2 mt -149.82 175.34 11.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.065 0.946 . . . . 0.0 111.612 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -127.35 122.02 32.57 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 168.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -122.31 140.99 52.0 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -84.98 151.82 23.92 Favored 'General case' 0 CA--C 1.522 -0.104 0 C-N-CA 122.84 0.456 . . . . 0.0 110.142 176.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.665 HG11 HG12 ' A' ' 25' ' ' VAL . 14.1 m -56.55 125.72 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.82 3.7 45.85 Favored Glycine 0 CA--C 1.531 1.054 0 CA-C-O 119.46 -0.633 . . . . 0.0 113.351 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -116.12 -176.51 2.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.364 1.082 . . . . 0.0 110.985 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.9 m -138.76 170.66 15.59 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -172.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.0 mm -144.02 166.63 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.92 2.088 . . . . 0.0 106.955 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -135.49 153.8 51.62 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 119.071 0.851 . . . . 0.0 112.062 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -140.34 143.38 29.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.295 1.038 . . . . 0.0 108.718 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.95 -137.29 44.24 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -175.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -135.12 15.68 3.51 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -142.73 9.34 1.76 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.493 0.717 . . . . 0.0 111.535 -177.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.52 147.39 32.69 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 CA-C-N 118.628 0.649 . . . . 0.0 109.914 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -139.29 155.24 47.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.9 mm -133.3 148.89 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 m -141.72 149.12 40.09 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.98 84.91 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.668 1.187 . . . . 0.0 107.841 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.75 -24.46 67.57 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 -169.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.94 -174.41 44.1 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 120.336 -0.935 . . . . 0.0 113.267 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.665 HG12 HG11 ' A' ' 8' ' ' VAL . 9.6 p -147.19 137.26 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.489 0.716 . . . . 0.0 110.173 -174.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.7 m -151.65 110.64 3.88 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 124.095 0.958 . . . . 0.0 108.562 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.18 -142.2 36.21 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -173.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -72.44 -12.93 61.31 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.103 0.952 . . . . 0.0 110.905 175.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.56 153.78 38.89 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.452 0.644 . . . . 0.0 110.088 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -149.22 117.68 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -84.42 133.95 34.48 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -132.78 155.01 40.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -170.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.41 149.82 18.38 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' C' ' 1' ' ' MET . 72.9 mt -137.86 144.18 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -144.29 104.31 4.08 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -174.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.29 160.75 30.56 Favored Pre-proline 0 N--CA 1.451 -0.402 0 C-N-CA 123.604 0.762 . . . . 0.0 109.834 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -66.57 157.03 62.75 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.392 2.728 . . . . 0.0 110.398 174.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HE3' ' C5 ' ' D' ' 65' ' ' ' G' . 14.2 mmmm -67.95 -0.13 4.06 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.014 0.435 . . . . 0.0 110.404 173.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.52 -9.2 32.37 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.269 1.028 . . . . 0.0 110.205 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -137.88 169.29 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.03 156.37 36.63 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 122.11 -0.369 . . . . 0.0 110.756 -174.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.76 129.12 10.48 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -155.37 160.78 40.97 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 122.142 -0.348 . . . . 0.0 111.155 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.6 tpt85 -57.43 145.31 33.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 171.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -58.22 -32.0 67.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.063 0.392 . . . . 0.0 111.658 -176.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -71.93 -38.77 69.8 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.256 -0.277 . . . . 0.0 110.748 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.47 -31.73 43.93 Favored 'Isoleucine or valine' 0 C--O 1.23 0.079 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.51 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 76.6 t80 -59.25 -36.72 76.01 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.232 0.613 . . . . 0.0 111.045 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.43 -16.48 63.5 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.946 0.339 . . . . 0.0 111.844 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -86.47 -10.12 54.83 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 123.072 0.549 . . . . 0.0 110.085 177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.6 mt -110.51 -33.17 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.305 0.642 . . . . 0.0 110.681 -174.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 61.4 mm-40 -82.71 3.07 30.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.038 -0.414 . . . . 0.0 111.198 176.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.29 -18.52 63.68 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.078 0.551 . . . . 0.0 112.413 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.62 21.3 0.11 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-O 118.955 -0.914 . . . . 0.0 114.008 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 56' ' ' THR . 0.9 OUTLIER -146.15 -26.3 0.44 Allowed 'General case' 0 C--N 1.34 0.176 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -172.035 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.411 ' N ' HD12 ' A' ' 55' ' ' LEU . 2.7 m 33.56 43.18 0.05 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.133 0.973 . . . . 0.0 112.553 -172.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.97 79.52 8.42 Favored Pre-proline 0 N--CA 1.454 -0.231 0 C-N-CA 123.846 0.858 . . . . 0.0 109.372 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.47 -40.94 18.14 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 124.391 3.394 . . . . 0.0 114.345 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -177.785 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.365 -3.335 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 C4'-C3'-C2' 99.199 -3.501 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.497 0 C4'-C3'-C2' 99.364 -3.336 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.191 -3.509 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 C4'-C3'-C2' 98.928 -3.772 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 C4'-C3'-C2' 99.727 -2.973 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.771 -2.929 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.377 0 C4'-C3'-C2' 99.358 -3.342 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C5'-C4'-C3' 111.212 -2.859 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 99.346 -3.354 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C3'-C2'-C1' 103.956 2.729 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . 0.407 ' C8 ' HD12 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 C5'-C4'-C3' 110.714 -3.191 . 0.122 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 1 C5'-C4'-C3' 105.717 -6.522 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . 0.515 " H5'" HD13 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.002 1 P-O3'-C3' 125.605 4.921 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.385 -3.315 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 98.818 -3.882 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 99.318 -3.382 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C4'-C3'-C2' 99.958 -2.742 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 99.572 -3.128 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.439 -3.261 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 110.867 2.667 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.405 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.34 118.12 16.14 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -110.53 149.32 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.368 0.667 . . . . 0.0 109.541 -171.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -150.65 177.98 9.53 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 123.258 0.623 . . . . 0.0 111.518 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.68 125.44 33.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 167.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.579 HH21 HG22 ' C' ' 22' ' ' ILE . 4.6 ttp180 -131.94 174.76 9.83 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.52 171.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -140.99 167.0 23.24 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.961 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 m -51.9 135.83 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 O-C-N 123.82 0.7 . . . . 0.0 112.464 -168.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.24 -5.2 74.83 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.351 -0.694 . . . . 0.0 113.701 176.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -96.91 177.36 5.65 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.387 1.093 . . . . 0.0 111.533 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -143.5 166.61 24.33 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 17.0 mt -143.16 162.83 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 126.261 1.824 . . . . 0.0 108.37 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -127.26 149.34 50.05 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.045 0.384 . . . . 0.0 110.712 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -145.14 144.59 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 123.236 0.615 . . . . 0.0 110.413 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.4 12.95 6.68 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 124.177 0.894 . . . . 0.0 114.513 172.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t70 55.62 12.72 0.85 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.294 1.038 . . . . 0.0 113.39 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -142.18 6.71 1.75 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.388 0.675 . . . . 0.0 110.619 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.5 148.45 30.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -138.54 153.22 48.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -132.65 144.07 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -176.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -135.73 148.0 48.67 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.579 HG22 HH21 ' C' ' 6' ' ' ARG . 1.6 tp -106.18 89.59 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 -178.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.1 -23.48 65.84 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.241 -167.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.77 179.43 36.43 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.939 -0.465 . . . . 0.0 111.939 175.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -121.71 162.8 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-O 121.371 0.605 . . . . 0.0 110.652 175.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -151.53 59.93 0.88 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.501 1.12 . . . . 0.0 108.067 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.42 -134.55 19.6 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.52 -11.1 40.55 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.077 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -100.25 147.62 25.55 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.068 0.849 . . . . 0.0 109.123 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -137.33 130.65 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -94.36 126.85 39.87 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -133.16 154.72 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -171.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.1 154.99 20.53 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.8 mt -136.7 144.98 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -141.57 109.74 5.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.2 160.63 31.64 Favored Pre-proline 0 N--CA 1.454 -0.245 0 C-N-CA 123.604 0.762 . . . . 0.0 109.537 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.05 154.38 74.75 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.115 2.543 . . . . 0.0 110.521 173.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.57 -0.55 3.96 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-O 120.887 0.375 . . . . 0.0 110.623 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.49 -11.7 53.76 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.378 1.071 . . . . 0.0 110.119 173.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.69 169.47 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.682 1.193 . . . . 0.0 108.36 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.21 160.68 23.34 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 122.317 -0.24 . . . . 0.0 111.537 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -147.83 132.61 10.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 176.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -152.83 164.08 38.52 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-O 120.917 0.389 . . . . 0.0 111.225 176.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -62.48 148.38 45.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 170.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -60.29 -31.88 70.67 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.027 0.376 . . . . 0.0 110.737 -176.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.09 -42.56 80.17 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.09 0.556 . . . . 0.0 110.413 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.36 -38.2 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 C-N-CA 122.868 0.467 . . . . 0.0 109.9 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.467 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 91.2 t80 -53.02 -36.31 60.39 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.11 0.964 . . . . 0.0 111.715 -175.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -61.19 -14.49 25.68 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -86.09 -43.28 13.21 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 118.612 0.642 . . . . 0.0 109.468 175.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.539 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.1 mp -66.58 -16.45 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 123.524 0.729 . . . . 0.0 110.366 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.467 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 75.3 mm-40 -104.27 3.13 32.31 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 176.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.72 -3.79 1.45 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -175.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.48 -8.97 0.03 OUTLIER Glycine 0 CA--C 1.528 0.86 0 CA-C-N 119.232 0.924 . . . . 0.0 113.287 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.51 ' N ' ' CD1' ' C' ' 55' ' ' LEU . 0.1 OUTLIER 69.33 179.51 0.24 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.039 1.336 . . . . 0.0 111.635 169.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 13.9 t -147.8 165.48 30.45 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.255 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 33.64 59.37 1.82 Allowed Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 124.974 1.31 . . . . 0.0 113.224 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -49.48 -30.94 22.39 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 123.892 3.061 . . . . 0.0 113.915 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 122.808 0.443 . . . . 0.0 110.087 -176.288 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C5'-C4'-C3' 111.245 -2.836 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C4'-C3'-C2' 99.312 -3.388 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.163 -3.537 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.601 -3.099 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 1 C4'-C3'-C2' 98.562 -4.138 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 O4'-C1'-N19 111.476 3.276 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 111.425 3.225 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 O4'-C1'-N19 110.596 2.396 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.454 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C5'-C4'-C3' 109.953 -3.698 . 0.581 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . 0.454 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 100.054 -2.646 . 0.033 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . 0.426 ' C5 ' ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C3'-C2'-C1' 104.218 3.02 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C5'-C4'-C3' 111.297 -2.802 . 0.03 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 C5'-C4'-C3' 104.997 -7.002 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 1 P-O3'-C3' 125.862 5.135 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 98.801 -3.899 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 1 C4'-C3'-C2' 98.617 -4.083 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 C4'-C3'-C2' 99.299 -3.401 . 0.503 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.919 -2.781 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 99.426 -3.274 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.503 -3.197 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 O4'-C1'-N19 111.022 2.822 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 mmm . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 120.985 0.422 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -135.49 114.26 11.93 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 168.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.95 141.88 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.469 0.708 . . . . 0.0 110.008 -173.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -162.37 178.86 8.29 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.011 0.524 . . . . 0.0 110.802 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -115.07 157.56 23.35 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.292 0.568 . . . . 0.0 110.468 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.449 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.1 tpm_? -148.4 164.54 33.8 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -124.39 159.49 30.28 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.4 m -57.36 141.14 14.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.543 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.05 -9.18 78.47 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.363 0.506 . . . . 0.0 112.926 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -90.1 -176.13 4.77 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 118.035 0.918 . . . . 0.0 111.02 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -140.75 171.32 14.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.322 0.582 . . . . 0.0 112.065 -174.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mt -154.22 164.14 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.962 2.105 . . . . 0.0 107.184 -171.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -143.54 156.56 44.64 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.59 -0.694 . . . . 0.0 112.215 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -140.91 148.04 22.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 124.134 0.974 . . . . 0.0 108.6 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.24 -139.4 34.15 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -130.74 11.79 5.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.256 0.622 . . . . 0.0 109.96 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -144.07 11.81 1.58 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.516 0.726 . . . . 0.0 111.204 -177.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.66 147.16 33.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.727 0.694 . . . . 0.0 110.403 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.3 m -137.58 153.55 49.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.391 1.076 . . . . 0.0 108.153 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.9 mm -136.89 148.13 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -138.87 148.44 43.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -107.96 86.73 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.29 -24.35 66.54 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.624 -169.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.14 -175.81 38.59 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 118.369 0.531 . . . . 0.0 112.732 175.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.8 m -131.85 165.99 30.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.229 0.538 . . . . 0.0 111.118 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.0 m -151.04 64.37 0.91 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.796 1.239 . . . . 0.0 107.797 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.8 -113.48 3.74 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -81.51 -19.19 42.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.485 ' HG2' ' HE3' ' C' ' 7' ' ' LYS . 9.5 mm-40 -80.08 152.7 29.19 Favored 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 123.707 0.629 . . . . 0.0 110.237 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.2 t -145.81 119.49 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -89.33 128.14 35.86 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -128.3 154.94 39.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -171.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.15 154.35 20.52 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.934 -1.267 . . . . 0.0 109.934 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.3 mt -139.37 144.46 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -177.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -142.9 107.98 4.95 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.92 160.98 30.75 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 123.986 0.915 . . . . 0.0 108.881 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.69 153.84 75.5 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.687 2.258 . . . . 0.0 110.061 174.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -71.78 -0.88 12.18 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.914 -0.491 . . . . 0.0 110.48 176.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -68.66 -6.76 27.83 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.998 0.919 . . . . 0.0 110.35 171.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -135.94 167.49 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.8 158.8 32.48 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.315 -0.241 . . . . 0.0 110.96 -174.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.0 m -144.91 129.84 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -177.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -157.68 160.99 38.55 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.871 -0.518 . . . . 0.0 110.12 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -63.62 156.83 25.52 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.41 -24.05 66.25 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -71.88 -51.81 20.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.766 -0.584 . . . . 0.0 109.876 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.85 -28.97 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 122.868 0.467 . . . . 0.0 109.951 -176.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.444 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 69.7 t80 -64.12 -39.3 93.74 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 122.884 0.473 . . . . 0.0 111.07 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -71.55 -16.32 62.32 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -82.63 -9.78 59.23 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 122.956 0.502 . . . . 0.0 110.261 174.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.3 mt -110.21 -43.95 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 122.687 0.395 . . . . 0.0 110.618 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.444 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 62.3 mm-40 -67.9 -0.45 4.3 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.98 -0.45 . . . . 0.0 111.534 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.54 -16.27 63.52 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.34 0.656 . . . . 0.0 111.472 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.45 15.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.053 -0.859 . . . . 0.0 114.413 176.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -153.91 -176.36 5.81 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.746 1.273 . . . . 0.0 112.758 -172.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.2 p -144.21 8.9 1.43 Allowed 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 124.607 1.163 . . . . 0.0 110.65 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.23 125.12 4.38 Favored Pre-proline 0 N--CA 1.451 -0.393 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -49.01 -33.58 26.72 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 124.259 3.306 . . . . 0.0 114.196 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -175.031 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.746 -2.954 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C4'-C3'-C2' 99.413 -3.287 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.52 -3.18 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 O4'-C1'-N19 111.378 3.178 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 1 C4'-C3'-C2' 98.68 -4.02 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.499 -3.201 . 0.654 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 O4'-C1'-N19 111.29 3.09 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.855 -2.845 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . 0.467 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 O4'-C1'-N19 111.874 3.674 . 0.375 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . 0.467 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.331 -3.369 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 N19-C1'-C2' 108.569 -3.019 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.352 0 C5'-C4'-C3' 111.806 -2.463 . 0.124 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 C5'-C4'-C3' 105.052 -6.965 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.824 1 P-O3'-C3' 125.544 4.87 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.382 -3.318 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C4'-C3'-C2' 98.961 -3.739 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.458 -3.242 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C4'-C3'-C2' 99.894 -2.806 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.723 -2.977 . 0.874 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.674 -3.026 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 C4'-C3'-C2' 99.89 -2.81 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.475 ' CE ' ' C6 ' ' D' ' 67' ' ' ' C' . 1.7 ttp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.697 0.284 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.1 tm? -116.1 119.8 37.01 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 176.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.541 ' CD1' " H4'" ' D' ' 67' ' ' ' C' . 4.5 mp -115.32 142.2 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.046 0.938 . . . . 0.0 109.8 -173.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -161.1 169.65 21.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.192 174.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.2 p -98.31 153.36 18.59 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.384 0.611 . . . . 0.0 110.009 177.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.644 HH22 ' HB ' ' C' ' 22' ' ' ILE . 7.4 mmm-85 -147.29 155.95 42.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.268 1.427 . . . . 0.0 107.551 178.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.485 ' HE3' ' HG2' ' A' ' 29' ' ' GLN . 59.9 mttp -123.01 162.62 22.0 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.385 0.612 . . . . 0.0 111.399 175.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.683 HG11 HG12 ' C' ' 25' ' ' VAL . 15.5 m -51.16 114.53 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 114.611 -1.177 . . . . 0.0 112.05 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 9' ' ' GLY . . . . . 0.544 ' H ' HG22 ' C' ' 22' ' ' ILE . . . 111.52 -24.11 16.28 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.349 0.5 . . . . 0.0 113.376 173.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 10' ' ' GLU . . . . . 0.56 ' HB2' HH21 ' C' ' 6' ' ' ARG . 92.5 mt-10 -73.43 -175.75 2.05 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 117.542 0.671 . . . . 0.0 110.806 177.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -143.98 176.09 9.54 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -174.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.554 ' CG1' HH11 ' C' ' 6' ' ' ARG . 4.9 mt -149.62 169.84 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 126.149 1.78 . . . . 0.0 107.889 -176.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ASN . . . . . 0.405 ' H ' HG22 ' C' ' 12' ' ' ILE . 23.8 m120 -142.98 151.34 40.78 Favored 'General case' 0 C--N 1.337 0.048 0 C-N-CA 123.138 0.575 . . . . 0.0 110.595 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -147.78 146.02 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.177 0.591 . . . . 0.0 109.954 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.75 14.82 7.91 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.989 0.804 . . . . 0.0 114.864 171.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 56.75 10.92 0.8 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -139.29 7.22 2.38 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.57 0.623 . . . . 0.0 110.474 175.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.23 146.74 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 62.2 m -135.09 146.93 49.36 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -131.33 148.91 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.0 m -140.75 149.34 41.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.644 ' HB ' HH22 ' C' ' 6' ' ' ARG . 0.4 OUTLIER -112.28 118.67 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -92.06 -22.09 20.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.242 -168.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.64 -175.35 39.86 Favored Glycine 0 C--N 1.337 0.634 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.669 172.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.683 HG12 HG11 ' C' ' 8' ' ' VAL . 11.5 p -140.84 139.84 33.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 122.955 0.502 . . . . 0.0 110.904 -175.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.2 m -151.3 113.98 4.66 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.92 -142.65 34.49 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -172.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -78.69 -6.38 55.61 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 117.812 0.806 . . . . 0.0 111.733 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.49 151.87 32.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -146.78 119.64 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -176.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -89.05 136.06 33.22 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -135.65 152.59 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.148 0.579 . . . . 0.0 109.833 -170.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.23 148.97 17.4 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.051 -1.619 . . . . 0.0 109.051 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.4 mt -138.81 144.4 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -144.35 104.46 4.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.6 158.89 39.64 Favored Pre-proline 0 C--O 1.233 0.234 0 C-N-CA 123.717 0.807 . . . . 0.0 109.655 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.0 153.68 77.12 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.008 2.472 . . . . 0.0 110.686 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -70.17 -1.58 10.59 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.947 -0.471 . . . . 0.0 110.851 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -68.58 -8.57 42.9 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.945 0.898 . . . . 0.0 110.436 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -137.72 169.22 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 176.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.7 159.88 24.44 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.821 -0.55 . . . . 0.0 111.104 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.0 m -146.03 130.24 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -158.78 163.2 36.95 Favored 'General case' 0 CA--C 1.522 -0.098 0 O-C-N 122.125 -0.359 . . . . 0.0 110.575 175.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -65.72 158.1 28.39 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 168.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.54 -23.64 58.77 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -174.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -66.29 -48.07 71.57 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.149 -0.344 . . . . 0.0 111.069 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.4 mm -79.87 -26.81 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -174.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -59.61 -27.55 66.41 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.739 0.416 . . . . 0.0 111.341 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -70.92 -13.06 61.88 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 122.004 -0.435 . . . . 0.0 112.059 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' ARG . . . . . 0.492 ' C ' HD12 ' C' ' 51' ' ' ILE . 10.2 mpt_? -82.17 -9.39 59.53 Favored 'General case' 0 C--O 1.225 -0.209 0 O-C-N 121.935 -0.478 . . . . 0.0 109.908 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.499 ' N ' HD12 ' C' ' 51' ' ' ILE . 1.6 mp -110.87 -12.69 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.081 0.953 . . . . 0.0 108.878 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -115.12 -14.14 11.79 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.261 0.625 . . . . 0.0 112.636 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -141.06 -2.11 1.32 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -141.17 -3.99 1.15 Allowed Glycine 0 CA--C 1.528 0.865 0 CA-C-N 118.47 0.577 . . . . 0.0 112.198 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.451 ' H ' HD13 ' C' ' 55' ' ' LEU . 0.8 OUTLIER 30.49 55.85 0.19 Allowed 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 126.637 1.975 . . . . 0.0 113.663 179.121 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 72.2 p -68.19 -3.96 12.34 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.147 -0.345 . . . . 0.0 111.339 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.3 74.7 9.77 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 124.558 1.143 . . . . 0.0 108.884 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.64 174.04 0.21 Allowed 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 124.998 3.798 . . . . 0.0 113.916 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 N--CA 1.453 -0.282 0 C-N-CA 123.459 0.704 . . . . 0.0 112.097 179.833 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.928 -2.772 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 99.348 -3.352 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.249 -3.451 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.943 0 C4'-C3'-C2' 99.398 -3.302 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 98.987 -3.713 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 C4'-C3'-C2' 99.622 -3.078 . 0.624 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 O4'-C1'-N19 111.565 3.365 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 O4'-C1'-N19 111.056 2.856 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.422 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.858 1 O4'-C1'-N19 112.351 4.151 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . 0.422 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C4'-C3'-C2' 100.072 -2.628 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 110.725 2.525 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . 0.437 ' C6 ' " H1'" ' D' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C5'-C4'-C3' 111.799 -2.467 . 0.42 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . 0.541 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.065 0 C5'-C4'-C3' 111.011 -2.993 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . 0.437 " H1'" ' C6 ' ' D' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.92 0 C4'-C3'-C2' 100.342 -2.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 99.714 -2.986 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.078 -3.622 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.2 -3.5 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.683 -3.017 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.563 -3.137 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C4'-C3'-C2' 99.418 -3.282 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 O4'-C1'-N19 111.01 2.81 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 mmm . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 120.707 0.289 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -135.6 114.18 11.77 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 167.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.415 HD13 " H5'" ' B' ' 68' ' ' ' G' . 4.4 mp -105.9 150.5 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.524 0.73 . . . . 0.0 110.02 -172.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.93 163.75 39.2 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.882 0.873 . . . . 0.0 109.524 -171.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.82 145.04 50.4 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 6.0 mmp_? -145.73 150.41 36.2 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 123.387 0.675 . . . . 0.0 109.551 177.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -89.53 157.22 18.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.653 HG11 HG12 ' A' ' 25' ' ' VAL . 11.8 m -54.13 114.1 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.547 177.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.96 -14.23 24.02 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.595 -0.558 . . . . 0.0 112.852 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -83.15 177.31 8.63 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.192 0.996 . . . . 0.0 111.177 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 m -135.78 167.31 21.41 Favored 'General case' 0 C--N 1.342 0.239 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -171.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -145.28 160.84 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 126.582 1.953 . . . . 0.0 107.139 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -133.99 154.99 50.75 Favored 'General case' 0 C--O 1.23 0.031 0 CA-C-N 118.944 0.793 . . . . 0.0 111.798 -176.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.1 mt -141.24 142.03 29.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.158 -178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.97 -135.51 43.08 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -135.57 15.07 3.42 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.249 0.62 . . . . 0.0 109.74 176.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -143.17 8.45 1.63 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.972 0.509 . . . . 0.0 111.545 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -132.22 147.84 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 118.713 0.688 . . . . 0.0 110.673 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.2 m -139.43 155.51 47.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -134.93 149.07 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -143.26 155.4 44.49 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -119.15 88.57 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 178.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.0 mt -64.64 -23.5 67.28 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -167.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.52 -177.45 43.67 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 118.787 0.722 . . . . 0.0 112.279 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.653 HG12 HG11 ' A' ' 8' ' ' VAL . 13.8 p -137.43 145.64 29.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 C-N-CA 123.28 0.632 . . . . 0.0 109.672 -174.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -149.88 67.21 0.99 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.943 0.897 . . . . 0.0 108.832 -176.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.63 -136.22 22.94 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -65.72 -17.19 64.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.7 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -88.68 150.17 23.13 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 118.728 0.694 . . . . 0.0 109.458 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.8 t -143.23 129.34 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -89.86 131.09 35.97 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mt -129.83 155.15 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -170.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' HA3' ' HE1' ' C' ' 1' ' ' MET . . . -126.87 150.8 18.02 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 -178.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.5 mt -140.03 143.08 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -144.18 105.85 4.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.852 0.358 . . . . 0.0 110.396 -175.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.02 159.58 33.48 Favored Pre-proline 0 N--CA 1.455 -0.215 0 C-N-CA 123.611 0.764 . . . . 0.0 109.2 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.01 153.29 78.7 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.953 2.435 . . . . 0.0 110.686 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -64.13 -0.8 1.29 Allowed 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.25 -0.281 . . . . 0.0 110.78 173.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.62 -9.95 40.88 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.366 1.066 . . . . 0.0 110.311 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -137.8 169.05 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 124.342 1.057 . . . . 0.0 108.301 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.49 157.22 29.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.96 -0.463 . . . . 0.0 111.369 -175.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.8 m -146.95 135.76 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -152.59 163.82 38.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -59.44 141.9 53.61 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 169.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -59.78 -23.56 63.37 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.245 0.475 . . . . 0.0 111.943 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.11 -21.49 43.2 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.657 0.383 . . . . 0.0 110.757 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.77 -32.76 5.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 124.047 0.939 . . . . 0.0 109.739 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.475 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 81.7 t80 -59.37 -36.18 75.3 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.29 0.636 . . . . 0.0 111.477 -176.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -69.62 -15.53 63.21 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -85.21 -9.02 58.28 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.0 mt -110.83 -43.24 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 122.76 0.424 . . . . 0.0 110.736 -174.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 72.2 mm-40 -69.49 1.38 4.06 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.47 -17.71 64.95 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.916 0.486 . . . . 0.0 111.739 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.95 16.63 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 CA-C-O 118.717 -1.046 . . . . 0.0 114.093 177.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -154.56 -176.58 5.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.174 1.487 . . . . 0.0 112.528 -172.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.6 p -144.43 5.84 1.25 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.937 0.895 . . . . 0.0 110.867 174.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.56 125.68 3.85 Favored Pre-proline 0 N--CA 1.452 -0.352 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.07 171.5 0.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 124.373 3.382 . . . . 0.0 113.656 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.53 0.195 0 C-N-CA 123.639 0.776 . . . . 0.0 112.336 -178.511 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 100.01 -2.69 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 99.355 -3.345 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 99.138 -3.562 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C1'-N19 111.442 3.242 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 C4'-C3'-C2' 98.995 -3.705 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C4'-C3'-C2' 99.822 -2.878 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.162 2.962 . 0.598 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 O4'-C1'-N19 110.763 2.563 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C5'-C4'-C3' 109.557 -3.962 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 C4'-C3'-C2' 100.205 -2.495 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 O4'-C1'-N19 110.578 2.378 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-C3' 111.261 -2.826 . 0.127 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . 0.432 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.622 1 C5'-C4'-C3' 105.097 -6.935 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . 0.415 " H5'" HD13 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.01 1 P-O3'-C3' 126.129 5.358 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-C2' 99.59 -3.11 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 C4'-C3'-C2' 98.732 -3.968 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.366 -3.334 . 0.552 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.529 -3.171 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.445 0 C4'-C3'-C2' 99.429 -3.271 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.419 -3.281 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 C4'-C3'-C2' 99.947 -2.753 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.412 ' HE1' ' HA3' ' A' ' 33' ' ' GLY . 1.5 mmm . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 119.858 -0.115 . . . . 0.0 110.75 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -130.93 112.51 13.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.4 ' N ' HD12 ' C' ' 3' ' ' ILE . 4.4 mp -106.81 148.51 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.249 1.019 . . . . 0.0 108.967 -171.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -149.63 179.16 8.21 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.407 0.683 . . . . 0.0 110.828 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -133.13 124.88 28.33 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 167.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.427 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.6 OUTLIER -124.74 164.64 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.248 1.019 . . . . 0.0 108.501 171.806 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -110.92 157.32 20.01 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.751 0.31 . . . . 0.0 110.698 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.59 HG11 HG12 ' C' ' 25' ' ' VAL . 17.0 m -53.2 114.56 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.026 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.88 -16.23 16.07 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 123.983 0.802 . . . . 0.0 111.943 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -84.63 179.14 7.44 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.791 0.795 . . . . 0.0 111.2 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -141.26 170.08 16.4 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.346 0.593 . . . . 0.0 112.277 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mm -144.65 164.67 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 126.843 2.057 . . . . 0.0 107.009 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -139.43 154.71 47.83 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.542 0.61 . . . . 0.0 111.889 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -139.82 144.38 28.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 124.192 0.997 . . . . 0.0 108.962 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.35 -135.46 44.56 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -136.75 17.22 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.221 0.609 . . . . 0.0 110.034 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -142.44 8.59 1.79 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.295 0.638 . . . . 0.0 111.493 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.13 147.13 33.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.198 0 CA-C-N 118.723 0.692 . . . . 0.0 110.412 -178.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -138.58 153.17 48.66 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.92 0.888 . . . . 0.0 108.61 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -134.6 149.23 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.8 m -143.21 151.89 41.13 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -110.37 87.82 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.432 HD22 ' C2 ' ' B' ' 67' ' ' ' C' . 21.5 mt -66.36 -26.39 67.25 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -168.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.18 -173.57 44.77 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.706 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.59 HG12 HG11 ' C' ' 8' ' ' VAL . 6.6 p -140.73 144.58 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.352 0.661 . . . . 0.0 109.382 -175.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -151.09 75.37 1.19 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.88 -142.02 34.04 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -67.06 -7.14 20.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 118.636 -0.697 . . . . 0.0 110.956 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -101.15 150.12 23.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 119.087 0.858 . . . . 0.0 109.328 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -136.54 140.39 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -104.11 132.1 50.71 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -130.04 151.94 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -169.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.79 150.24 17.08 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -177.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -138.74 144.2 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -144.74 106.03 4.22 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.53 158.9 35.45 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.749 0.82 . . . . 0.0 109.802 -177.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.83 154.07 75.49 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.833 2.355 . . . . 0.0 110.392 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -70.62 -0.7 9.21 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.12 -0.363 . . . . 0.0 110.592 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.77 -7.07 36.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.798 0.839 . . . . 0.0 110.618 172.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -136.7 169.24 20.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.923 0.889 . . . . 0.0 108.819 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.25 156.59 29.66 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -173.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 m -148.02 134.11 12.22 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -159.67 166.01 31.47 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.59 0.709 . . . . 0.0 111.727 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -58.89 148.04 31.68 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 168.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -56.64 -31.66 64.57 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 122.229 -0.294 . . . . 0.0 111.719 -174.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.29 -35.91 47.3 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.952 -0.467 . . . . 0.0 111.261 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -72.88 -34.52 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -55.71 -26.47 45.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.749 0.819 . . . . 0.0 111.628 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -74.84 -15.59 60.72 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.636 0.374 . . . . 0.0 111.563 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -86.18 -4.34 59.15 Favored 'General case' 0 C--O 1.227 -0.09 0 O-C-N 121.266 -0.896 . . . . 0.0 110.263 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.443 ' N ' HD12 ' C' ' 51' ' ' ILE . 4.5 mp -118.05 -12.69 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.366 0.666 . . . . 0.0 109.784 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -122.21 -12.63 8.25 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -132.09 -2.26 3.61 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -176.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.81 -12.07 0.06 OUTLIER Glycine 0 CA--C 1.527 0.831 0 CA-C-N 118.236 0.471 . . . . 0.0 112.022 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 51.0 -173.18 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.871 1.668 . . . . 0.0 112.752 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 47.5 p -79.19 7.89 6.84 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.23 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.65 62.83 7.28 Favored Pre-proline 0 CA--C 1.533 0.316 0 C-N-CA 122.907 0.483 . . . . 0.0 111.202 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -47.26 -36.41 22.39 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 124.203 3.268 . . . . 0.0 114.465 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 CA--C 1.533 0.32 0 C-N-CA 122.308 0.243 . . . . 0.0 111.562 -175.393 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.972 -2.728 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.438 -3.262 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.356 -3.344 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O4'-C1'-N19 111.733 3.533 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C4'-C3'-C2' 99.484 -3.216 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.997 0 C4'-C3'-C2' 99.299 -3.401 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.569 -3.131 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.872 0 C4'-C3'-C2' 99.877 -2.823 . 0.579 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 63' ' ' ' A' . . . . . 0.509 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-N19 110.626 2.426 . 0.403 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 64' ' ' ' G' . . . . . 0.509 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 C4'-C3'-C2' 98.686 -4.014 . 0.01 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.541 0 N19-C1'-C2' 109.12 -2.675 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 66' ' ' ' A' . . . . . 0.597 " H2'" H5'' ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C3'-C2'-C1' 104.488 3.32 . 0.52 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 67' ' ' ' C' . . . . . 0.597 H5'' " H2'" ' D' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.325 2 O5'-C5'-C4' 118.311 5.794 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear build full ' D' D ' 68' ' ' ' G' . . . . . 0.585 " C5'" " H4'" ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.957 1 P-O3'-C3' 125.374 4.728 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.228 -3.472 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 98.837 -3.863 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C4'-C3'-C2' 99.34 -3.36 . 0.563 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.942 -2.758 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C4'-C3'-C2' 99.562 -3.138 . 0.871 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C4'-C3'-C2' 99.367 -3.333 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 C4'-C3'-C2' 99.869 -2.831 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.598 ' HG2' HD11 ' A' ' 3' ' ' ILE . 7.2 tpp . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 120.398 0.142 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.2 tm? -126.57 111.18 14.06 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 171.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.598 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.1 mp -106.13 143.29 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.02 0.928 . . . . 0.0 110.362 -175.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -161.41 173.21 15.24 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.116 0.566 . . . . 0.0 110.919 173.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -109.91 155.15 22.09 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.158 0.504 . . . . 0.0 110.989 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -145.34 166.89 24.26 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.83 1.252 . . . . 0.0 109.304 176.23 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -115.51 153.57 30.91 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -57.74 127.49 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.77 7.2 53.68 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.617 -0.546 . . . . 0.0 112.791 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -118.3 178.62 4.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.056 0.928 . . . . 0.0 110.939 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.4 m -139.74 170.45 15.87 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -170.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' C' ' 44' ' ' ARG . 37.9 mm -141.15 163.6 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 127.059 2.144 . . . . 0.0 107.15 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -134.75 151.65 51.14 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.8 0.727 . . . . 0.0 111.27 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -145.95 144.38 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.565 0.746 . . . . 0.0 110.257 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.39 12.82 9.36 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.193 0.901 . . . . 0.0 114.627 171.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 57.13 10.51 0.84 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.245 1.018 . . . . 0.0 113.608 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -141.27 7.67 1.99 Allowed 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.559 0.744 . . . . 0.0 110.843 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.39 145.3 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -138.84 152.63 48.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -132.34 144.8 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -139.18 120.82 15.22 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.432 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.6 tp -75.43 99.85 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 174.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.7 mt -73.83 -27.47 61.12 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 122.172 -0.33 . . . . 0.0 111.78 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.04 -179.09 39.16 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 m -120.2 163.33 17.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-O 121.193 0.52 . . . . 0.0 111.016 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -151.44 60.07 0.89 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.63 -133.76 16.37 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -177.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.58 -18.01 65.0 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.422 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -87.73 148.57 24.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.1 t -140.01 125.39 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -88.35 130.18 35.21 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -137.69 154.59 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -172.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.61 157.99 19.82 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.7 mt -138.1 144.66 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -139.78 111.52 7.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.71 158.34 34.15 Favored Pre-proline 0 N--CA 1.45 -0.439 0 C-N-CA 123.502 0.721 . . . . 0.0 109.626 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.95 152.7 81.42 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.913 2.409 . . . . 0.0 110.38 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -69.99 -0.81 8.13 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 122.093 -0.379 . . . . 0.0 110.733 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -68.08 -8.76 40.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.448 0.699 . . . . 0.0 110.297 171.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.18 169.09 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.295 1.038 . . . . 0.0 108.223 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.36 160.4 30.54 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.59 0.233 . . . . 0.0 111.401 -174.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -143.54 131.36 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -156.18 162.31 40.21 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.505 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 27.7 ttt85 -59.39 150.75 25.48 Favored 'General case' 0 CA--C 1.527 0.064 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 169.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -60.9 -24.35 65.92 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -172.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.505 ' H ' ' HG2' ' A' ' 44' ' ' ARG . 76.0 mm-40 -74.37 -46.92 37.39 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.945 -0.472 . . . . 0.0 110.56 175.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -64.4 -27.89 43.66 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.2 t80 . . . . . 0 N--CA 1.45 -0.453 0 C-N-CA 123.462 0.705 . . . . 0.0 110.686 177.821 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.572 ' HG2' HD11 ' C' ' 3' ' ' ILE . 11.1 tpp . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 120.273 0.082 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' C' ' 1' ' ' MET . 2.2 tm? -126.95 108.69 11.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 170.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.572 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.6 mp -97.9 150.95 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 123.959 0.903 . . . . 0.0 109.651 -174.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 82.8 mt -151.48 179.84 8.01 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.142 0.977 . . . . 0.0 111.183 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.3 p -131.8 128.81 39.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 166.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.4 ' HA ' ' CZ ' ' C' ' 6' ' ' ARG . 1.5 tpm_? -131.18 138.71 49.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 173.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -86.77 155.29 20.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.928 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.647 HG11 HG12 ' C' ' 25' ' ' VAL . 18.0 m -54.32 127.15 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.515 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.9 1.45 45.65 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-O 119.44 -0.645 . . . . 0.0 113.074 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -114.56 179.62 3.9 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.73 1.265 . . . . 0.0 111.14 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.5 m -134.44 171.68 13.97 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -171.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mt -147.8 167.66 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 126.262 1.825 . . . . 0.0 106.493 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -136.92 154.15 50.54 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.507 0.594 . . . . 0.0 111.229 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.0 mt -142.05 142.24 28.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 C-N-CA 123.953 0.901 . . . . 0.0 109.127 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.5 -133.32 52.73 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -136.54 11.79 3.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.247 0.619 . . . . 0.0 109.873 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -144.37 10.21 1.45 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.176 0.591 . . . . 0.0 111.966 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.04 145.95 34.86 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 118.818 0.735 . . . . 0.0 110.239 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -137.68 154.55 49.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.4 mm -136.2 148.38 27.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -176.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -141.88 130.1 22.22 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.951 0.405 . . . . 0.0 110.006 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.418 HG22 ' H ' ' C' ' 22' ' ' ILE . 1.7 tp -84.9 87.78 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.71 -28.27 68.94 Favored 'General case' 0 C--N 1.338 0.087 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -168.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.1 -176.26 46.54 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.906 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.647 HG12 HG11 ' C' ' 8' ' ' VAL . 7.3 p -140.64 145.07 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.515 0.726 . . . . 0.0 109.433 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -147.82 60.2 1.13 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.612 1.165 . . . . 0.0 108.726 -175.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.03 -133.92 17.64 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.72 -10.11 33.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.906 -0.568 . . . . 0.0 111.206 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -102.13 148.61 25.19 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 118.567 0.621 . . . . 0.0 109.528 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.3 t -138.25 147.07 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -115.36 130.27 56.84 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.88 153.75 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -169.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.05 155.85 20.47 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 1' ' ' MET . 68.9 mt -137.96 144.56 30.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.7 t-20 -139.83 109.06 6.1 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -178.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.32 160.66 30.68 Favored Pre-proline 0 N--CA 1.451 -0.387 0 C-N-CA 124.151 0.98 . . . . 0.0 109.086 -176.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.22 151.89 83.96 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.819 2.346 . . . . 0.0 110.221 174.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -69.42 -0.76 6.91 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.809 -0.557 . . . . 0.0 110.653 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.92 -5.38 25.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.02 0.928 . . . . 0.0 110.883 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 m -134.78 169.69 20.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.85 156.02 34.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.953 -0.467 . . . . 0.0 111.095 -174.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 m -146.05 131.93 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -157.64 169.78 23.88 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 118.061 0.392 . . . . 0.0 111.466 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.471 ' HA ' HD13 ' A' ' 12' ' ' ILE . 44.3 mtp-105 -64.65 150.64 46.69 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 170.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -61.39 -26.83 68.1 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.103 -0.373 . . . . 0.0 110.629 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -72.74 -43.88 62.37 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.822 0.449 . . . . 0.0 110.375 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -69.98 -31.2 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 79.9 t80 . . . . . 0 N--CA 1.45 -0.473 0 C-N-CA 123.256 0.622 . . . . 0.0 111.827 -176.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 mmm . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.942 0.401 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.26 108.18 7.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 169.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -98.56 150.58 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.515 0.726 . . . . 0.0 109.441 -173.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.44 HD13 ' H ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -154.81 164.52 38.7 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.01 0.924 . . . . 0.0 109.231 -172.034 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.44 ' H ' HD13 ' A' ' 4' ' ' LEU . 1.3 p -125.92 152.58 45.42 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 170.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -148.98 162.64 39.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -115.97 162.16 17.78 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 118.169 0.44 . . . . 0.0 110.23 173.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -57.32 131.96 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.986 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.41 6.79 58.49 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.442 -0.643 . . . . 0.0 112.999 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -118.62 178.59 4.41 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 118.227 1.014 . . . . 0.0 110.315 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -137.25 170.16 16.57 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -169.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mt -143.62 166.05 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 126.898 2.079 . . . . 0.0 106.871 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -138.12 155.0 49.18 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.696 0.68 . . . . 0.0 112.083 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -139.79 147.46 23.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 124.296 1.038 . . . . 0.0 108.569 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.1 -138.3 39.35 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -133.7 15.85 3.97 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.147 0.579 . . . . 0.0 109.932 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -143.55 10.41 1.63 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.845 0.858 . . . . 0.0 111.989 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.24 147.74 32.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 119.067 0.848 . . . . 0.0 111.084 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -139.07 154.89 48.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.28 1.032 . . . . 0.0 108.583 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -136.8 143.24 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -139.46 129.23 24.69 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.788 0.328 . . . . 0.0 110.369 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.4 tp -83.16 93.91 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.3 -27.31 64.29 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -170.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.08 -179.81 40.55 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.333 -0.461 . . . . 0.0 112.06 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -125.58 163.39 26.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 121.372 0.606 . . . . 0.0 110.563 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 m -151.32 59.51 0.9 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.622 1.169 . . . . 0.0 108.019 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.36 -132.99 17.31 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -66.15 -11.05 46.77 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.077 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -98.86 149.2 23.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 118.934 0.788 . . . . 0.0 109.029 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.2 t -134.77 146.45 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -112.1 128.52 56.23 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -134.0 155.21 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -170.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.01 156.57 20.78 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' C' ' 1' ' ' MET . 64.0 mt -137.81 144.84 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -140.53 108.85 5.81 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.14 161.54 29.03 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 123.742 0.817 . . . . 0.0 109.283 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.28 156.84 63.07 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.912 2.408 . . . . 0.0 110.742 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -69.27 -0.46 6.2 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.012 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.19 -10.54 42.56 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.323 1.049 . . . . 0.0 110.296 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.52 169.18 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 124.554 1.142 . . . . 0.0 108.796 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.02 156.61 33.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 122.195 -0.316 . . . . 0.0 111.129 -175.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -145.19 128.68 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -156.55 158.13 36.59 Favored 'General case' 0 C--N 1.337 0.063 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.4 ptt85 -70.17 159.23 34.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -56.78 -23.92 46.73 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -170.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -75.06 -45.02 44.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.829 0.741 . . . . 0.0 110.797 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.6 mm -73.94 -28.46 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.3 t80 . . . . . 0 N--CA 1.449 -0.522 0 C-N-CA 123.047 0.539 . . . . 0.0 111.158 -179.188 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.571 ' HG2' HD11 ' C' ' 3' ' ' ILE . 7.3 tpp . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.817 -0.068 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' C' ' 1' ' ' MET . 2.9 tm? -125.06 109.74 13.3 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 171.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.571 HD11 ' HG2' ' C' ' 1' ' ' MET . 5.0 mp -104.82 141.82 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.775 0.83 . . . . 0.0 110.029 -175.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.3 174.66 12.52 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.567 174.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -110.74 158.0 19.14 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.222 0.534 . . . . 0.0 111.239 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.24 153.05 38.2 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -95.55 149.07 21.83 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.579 HG11 HG12 ' C' ' 25' ' ' VAL . 15.9 m -56.78 119.65 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 177.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.85 5.06 25.86 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.332 -0.705 . . . . 0.0 112.914 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -121.22 -176.16 3.22 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.424 1.112 . . . . 0.0 110.82 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -135.95 171.39 14.54 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mt -146.12 166.39 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 126.699 1.999 . . . . 0.0 106.973 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -139.71 154.05 47.37 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 118.754 0.706 . . . . 0.0 111.858 -176.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -147.27 149.68 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 123.962 0.905 . . . . 0.0 109.648 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.51 13.99 4.53 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 124.741 1.162 . . . . 0.0 115.186 171.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 55.17 12.04 0.62 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -142.67 8.99 1.76 Allowed 'General case' 0 C--N 1.34 0.187 0 C-N-CA 123.667 0.787 . . . . 0.0 110.609 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.43 149.64 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -136.21 150.48 49.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.4 mm -133.02 147.75 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 13.1 m -141.98 125.1 16.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.419 HG22 ' H ' ' C' ' 22' ' ' ILE . 1.9 tp -81.08 87.1 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.53 -27.95 69.31 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -170.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.68 -173.92 43.92 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 120.39 -0.91 . . . . 0.0 113.106 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.579 HG12 HG11 ' C' ' 8' ' ' VAL . 7.7 p -141.35 140.27 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.882 0.873 . . . . 0.0 109.344 -173.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -150.76 83.5 1.34 Allowed 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.921 0.888 . . . . 0.0 108.631 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.68 -142.09 39.67 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 -173.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -69.89 -12.93 61.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.616 0.708 . . . . 0.0 111.589 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -78.23 149.81 33.57 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -142.76 118.59 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -90.05 136.19 33.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -135.59 150.95 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -170.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.61 150.38 18.36 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.3 mt -138.66 144.43 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -144.57 105.52 4.18 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.59 159.26 36.64 Favored Pre-proline 0 C--N 1.332 -0.155 0 C-N-CA 123.375 0.67 . . . . 0.0 109.797 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.23 154.03 75.75 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.466 2.778 . . . . 0.0 110.695 173.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -70.18 -2.02 11.9 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.99 -0.444 . . . . 0.0 110.758 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.93 -8.76 31.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.092 0.957 . . . . 0.0 110.032 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m -138.02 169.36 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.135 0.974 . . . . 0.0 108.534 176.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.12 160.23 30.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.063 -0.398 . . . . 0.0 111.537 -173.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.9 m -146.4 131.59 12.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -157.08 166.74 32.46 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 122.239 -0.288 . . . . 0.0 110.329 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.15 156.24 25.74 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 172.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -59.28 -23.9 62.79 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 122.11 -0.368 . . . . 0.0 111.374 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -75.18 -49.13 20.46 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.256 -0.278 . . . . 0.0 110.752 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.6 mm -69.6 -29.37 41.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-O 121.116 0.484 . . . . 0.0 110.31 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 83.5 t80 . . . . . 0 N--CA 1.452 -0.33 0 C-N-CA 123.892 0.877 . . . . 0.0 112.104 -177.046 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 119.876 -0.106 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -124.1 113.74 18.77 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 3' ' ' ILE . 4.5 mp -112.38 138.12 42.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 123.877 0.871 . . . . 0.0 108.971 -172.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.72 169.56 22.54 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 122.699 0.399 . . . . 0.0 110.79 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.4 p -106.0 157.84 17.22 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.605 0.717 . . . . 0.0 111.28 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -146.81 155.76 42.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.028 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -104.05 152.19 22.36 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 m -57.07 128.23 17.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.08 7.96 55.76 Favored Glycine 0 CA--C 1.531 1.074 0 CA-C-O 119.627 -0.541 . . . . 0.0 112.789 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -119.45 -177.35 3.35 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.903 0.851 . . . . 0.0 110.31 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 m -139.01 169.65 17.4 Favored 'General case' 0 C--N 1.339 0.147 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' C' ' 44' ' ' ARG . 39.1 mm -140.27 163.58 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 126.667 1.987 . . . . 0.0 106.245 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -136.36 150.35 48.79 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.259 0.936 . . . . 0.0 111.164 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -145.94 142.34 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.789 0.836 . . . . 0.0 110.77 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.03 18.85 9.68 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 124.265 0.936 . . . . 0.0 114.348 172.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p30 45.9 17.09 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.943 1.697 . . . . 0.0 115.079 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -137.67 6.42 2.71 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 123.597 0.759 . . . . 0.0 110.158 172.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.21 146.92 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -138.04 154.81 49.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -131.41 142.4 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.3 m -134.18 119.91 19.41 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.424 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.6 tp -78.76 92.46 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -68.57 -28.27 66.8 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -170.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.53 -178.73 38.97 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 121.381 -0.437 . . . . 0.0 112.22 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -117.27 163.12 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 CA-C-O 121.603 0.715 . . . . 0.0 110.754 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.2 t -151.07 58.58 0.91 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.66 -134.85 22.73 Favored Glycine 0 C--N 1.337 0.621 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.22 -9.59 33.65 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.133 0.466 . . . . 0.0 111.287 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -97.62 148.28 23.45 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.33 137.27 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -100.66 129.55 46.59 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -135.06 151.72 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -171.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.16 156.37 18.28 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' C' ' 1' ' ' MET . 66.3 mt -136.78 144.86 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -139.57 107.4 5.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.22 158.19 36.6 Favored Pre-proline 0 N--CA 1.452 -0.362 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.8 145.87 96.93 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.059 1.839 . . . . 0.0 108.992 175.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -62.68 -8.45 6.64 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.143 0.497 . . . . 0.0 110.999 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.4 -6.63 15.12 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.691 1.996 . . . . 0.0 112.346 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -133.84 169.23 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 176.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.67 156.19 25.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.838 0.29 . . . . 0.0 111.545 -173.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.5 m -146.58 126.24 5.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -156.28 160.88 40.16 Favored 'General case' 0 CA--C 1.521 -0.161 0 O-C-N 121.867 -0.52 . . . . 0.0 110.406 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -65.73 156.41 33.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.32 -23.52 62.55 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -76.19 -45.02 35.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.048 -0.407 . . . . 0.0 110.365 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.34 -31.92 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 N--CA 1.452 -0.358 0 C-N-CA 123.191 0.596 . . . . 0.0 111.376 -177.728 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.587 ' HG2' HD11 ' C' ' 3' ' ' ILE . 9.9 tpp . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.2 tm? -128.51 108.1 10.26 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 171.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.587 HD11 ' HG2' ' C' ' 1' ' ' MET . 5.1 mp -103.25 141.12 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.486 0.714 . . . . 0.0 110.205 -174.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -161.56 173.19 15.14 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.041 0.536 . . . . 0.0 110.687 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.0 p -108.43 157.21 18.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.382 0.61 . . . . 0.0 110.81 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.419 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 5.4 tpm_? -148.65 138.86 22.42 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.984 174.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -80.78 153.11 27.94 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.43 136.99 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.98 -0.28 72.51 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.437 -0.646 . . . . 0.0 112.52 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -104.47 -178.03 3.54 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.162 0.981 . . . . 0.0 110.131 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 40.0 m -137.53 169.12 18.33 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -171.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 59.1 mt -144.16 167.59 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 126.426 1.89 . . . . 0.0 107.018 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -140.89 155.88 46.21 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 121.667 -0.646 . . . . 0.0 111.713 -177.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -140.15 147.56 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.981 0.912 . . . . 0.0 108.601 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.12 -135.11 44.16 Favored Glycine 0 C--N 1.337 0.625 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -134.45 12.61 3.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.998 0.519 . . . . 0.0 109.904 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -142.84 11.25 1.82 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.366 0.666 . . . . 0.0 111.729 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.41 149.45 33.67 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 CA-C-O 121.627 0.727 . . . . 0.0 110.322 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.0 m -137.77 154.39 49.59 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 36.0 mm -137.65 149.78 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 -176.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -141.66 149.79 41.07 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.37 86.0 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.52 -25.55 67.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -169.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -176.93 37.8 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.548 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.67 163.61 16.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 CA-C-O 121.834 0.825 . . . . 0.0 110.264 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -151.18 59.87 0.91 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.24 -133.81 18.77 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.12 -10.3 48.7 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.269 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -97.47 150.93 20.52 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.852 0.751 . . . . 0.0 109.662 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.06 141.68 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -105.91 130.04 53.94 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.4 155.39 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.086 -169.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.44 151.6 17.63 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -141.04 144.44 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -144.56 104.6 4.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -175.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.74 159.96 31.73 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 123.568 0.747 . . . . 0.0 109.822 -176.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.16 150.2 88.8 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 123.136 2.558 . . . . 0.0 110.235 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -64.43 -3.44 2.99 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.819 -0.551 . . . . 0.0 110.93 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.9 -6.25 15.78 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.965 0.906 . . . . 0.0 110.87 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -136.14 163.56 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.88 156.43 32.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.073 -0.392 . . . . 0.0 111.196 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 m -144.68 132.66 17.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -156.95 164.34 38.14 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.649 0.261 . . . . 0.0 110.905 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.441 ' HA ' HD13 ' A' ' 12' ' ' ILE . 15.0 ptm180 -69.94 151.04 46.08 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -59.75 -34.24 72.7 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -169.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -80.13 -13.89 58.92 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.38 -0.825 . . . . 0.0 111.781 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -90.55 -29.67 4.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 172.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 . . . . . 0 N--CA 1.452 -0.352 0 C-N-CA 123.457 0.703 . . . . 0.0 111.675 -178.181 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.503 ' HG2' HD11 ' A' ' 3' ' ' ILE . 13.0 tpp . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.148 0.023 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.453 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.0 tm? -126.98 105.22 8.46 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.503 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.3 mp -100.01 144.09 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.108 0.963 . . . . 0.0 110.365 -175.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -162.3 173.77 13.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.654 0.782 . . . . 0.0 110.74 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -112.38 153.74 26.83 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.975 0.416 . . . . 0.0 110.995 176.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.417 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -145.52 164.87 30.3 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.579 1.152 . . . . 0.0 108.798 173.371 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -108.57 152.38 24.85 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.101 0.56 . . . . 0.0 109.526 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.53 HG11 HG12 ' A' ' 25' ' ' VAL . 13.8 m -58.43 114.64 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-O 120.926 0.393 . . . . 0.0 110.505 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.48 -12.06 13.96 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -91.02 -178.37 5.17 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 117.636 0.718 . . . . 0.0 111.158 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -140.55 171.86 13.52 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.32 0.581 . . . . 0.0 112.525 -173.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 12' ' ' ILE . 40.4 mt -146.52 166.34 7.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 126.095 1.758 . . . . 0.0 106.828 -176.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -140.75 148.39 40.62 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.037 -0.414 . . . . 0.0 111.004 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -145.83 145.53 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 C-N-CA 123.18 0.592 . . . . 0.0 110.568 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.38 13.64 7.69 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.926 0.774 . . . . 0.0 114.374 171.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 56.06 11.8 0.81 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.375 1.07 . . . . 0.0 113.726 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -141.62 7.77 1.92 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.269 0.628 . . . . 0.0 110.528 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.96 144.9 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.6 m -135.32 150.81 50.06 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -133.44 147.56 31.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -140.35 124.94 18.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.442 HG22 ' H ' ' A' ' 22' ' ' ILE . 2.1 tp -78.47 94.4 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 176.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.74 -26.46 65.26 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.85 -171.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.0 -171.84 42.51 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.364 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.53 HG12 HG11 ' A' ' 8' ' ' VAL . 7.4 p -139.87 146.83 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.842 0.857 . . . . 0.0 110.035 -173.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.8 m -147.06 67.08 1.15 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.658 1.183 . . . . 0.0 108.424 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.59 -131.5 14.57 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 -175.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.08 -23.57 67.2 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.641 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.4 ' HA ' ' HB3' ' C' ' 7' ' ' LYS . 13.3 tt0 -81.74 149.99 28.17 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.115 0.484 . . . . 0.0 110.141 -177.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -145.63 113.29 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -172.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -87.64 132.47 34.08 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -135.31 154.25 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -172.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.37 156.41 20.41 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.3 mt -136.22 144.51 32.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -176.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -141.33 107.97 5.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.19 159.22 33.16 Favored Pre-proline 0 N--CA 1.455 -0.222 0 C-N-CA 123.386 0.674 . . . . 0.0 109.819 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.43 154.45 68.37 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.119 2.546 . . . . 0.0 109.924 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.439 ' N ' ' HE3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -70.03 -4.92 23.18 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 121.716 -0.615 . . . . 0.0 110.233 178.532 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.85 -6.7 17.32 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.73 1.212 . . . . 0.0 111.047 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.1 m -135.52 163.7 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.57 152.06 34.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.054 -0.404 . . . . 0.0 110.962 -174.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.86 131.51 15.39 Favored 'Isoleucine or valine' 0 C--N 1.337 0.057 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -156.17 162.8 40.16 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-O 120.937 0.399 . . . . 0.0 111.627 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -59.26 143.56 48.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 169.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -58.27 -27.66 64.23 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.181 0.446 . . . . 0.0 111.931 -174.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -63.86 -49.06 74.26 Favored 'General case' 0 CA--C 1.527 0.095 0 O-C-N 121.917 -0.489 . . . . 0.0 110.548 174.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.2 mm -72.98 -24.29 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 122.497 0.319 . . . . 0.0 110.545 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.2 t80 . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.515 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.573 ' HG2' HD11 ' C' ' 3' ' ' ILE . 9.8 tpp . . . . . 0 N--CA 1.472 0.635 0 CA-C-O 120.386 0.136 . . . . 0.0 110.735 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' C' ' 1' ' ' MET . 2.8 tm? -123.22 105.48 9.92 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 172.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.573 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.9 mp -100.51 142.76 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.033 0.933 . . . . 0.0 110.434 -174.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.3 168.51 23.87 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.313 0.645 . . . . 0.0 110.503 174.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.2 p -107.59 151.36 25.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.626 0.727 . . . . 0.0 111.444 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.437 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.2 OUTLIER -145.42 170.17 16.88 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 126.089 1.755 . . . . 0.0 106.578 173.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . 19.1 pttm -143.05 168.65 19.22 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.461 HG11 HG12 ' C' ' 25' ' ' VAL . 17.7 m -48.37 128.94 4.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.05 5.08 62.69 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 119.5 -0.611 . . . . 0.0 112.956 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -108.12 176.29 5.18 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.144 0.972 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.4 m -141.41 171.01 14.65 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.416 HG22 ' H ' ' C' ' 13' ' ' ASN . 8.5 mt -143.84 170.08 9.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 125.575 1.55 . . . . 0.0 107.124 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . 0.416 ' H ' HG22 ' C' ' 12' ' ' ILE . 11.0 t-20 -140.57 146.9 38.63 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 121.474 -0.766 . . . . 0.0 110.758 -178.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -145.86 142.84 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 123.618 0.767 . . . . 0.0 110.341 -176.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.52 10.42 5.91 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.122 0.868 . . . . 0.0 114.789 171.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.4 t0 55.56 14.32 1.18 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.099 0.95 . . . . 0.0 113.508 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -140.88 6.83 2.03 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.317 0.647 . . . . 0.0 110.108 174.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.79 147.85 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -139.74 152.82 46.94 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 mm -130.92 148.01 33.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -142.97 125.56 15.84 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -79.37 95.19 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.9 mt -70.72 -27.07 63.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -171.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.77 177.12 40.54 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.209 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.461 HG12 HG11 ' C' ' 8' ' ' VAL . 7.1 p -132.48 149.29 32.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 C-N-CA 123.126 0.571 . . . . 0.0 110.454 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.1 p -151.08 78.85 1.3 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.82 0.848 . . . . 0.0 109.103 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.3 -141.97 36.55 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.12 -10.85 44.73 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 118.931 -0.557 . . . . 0.0 111.495 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -97.87 148.69 23.17 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 118.8 0.727 . . . . 0.0 109.605 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 23.2 t -137.09 138.68 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -104.4 127.38 52.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -132.09 153.26 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -171.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.47 155.27 19.94 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 1' ' ' MET . 67.4 mt -135.24 144.65 33.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -178.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -138.08 109.14 6.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.66 159.14 32.43 Favored Pre-proline 0 C--O 1.234 0.277 0 C-N-CA 123.578 0.751 . . . . 0.0 109.584 -177.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.54 152.22 82.49 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.981 2.454 . . . . 0.0 110.443 173.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -63.98 -1.5 1.5 Allowed 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 173.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.26 -10.78 45.52 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.375 1.07 . . . . 0.0 110.502 174.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -138.36 169.09 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.625 1.17 . . . . 0.0 108.187 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.49 155.46 34.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.277 -0.264 . . . . 0.0 110.819 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -144.07 128.37 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -156.72 156.8 34.0 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 ptt-85 -64.08 155.65 30.72 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 170.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.01 -23.24 61.76 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -170.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -69.29 -52.55 26.4 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 118.536 0.607 . . . . 0.0 110.972 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 25.4 mm -65.51 -26.65 39.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.099 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 . . . . . 0 N--CA 1.447 -0.595 0 C-N-CA 122.665 0.386 . . . . 0.0 110.68 178.815 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mmm . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 121.178 0.513 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -136.03 113.84 11.13 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 168.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -112.76 141.19 29.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 123.555 0.742 . . . . 0.0 110.244 -172.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -160.88 166.55 28.27 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.03 0.532 . . . . 0.0 110.492 175.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.1 p -102.99 157.16 17.17 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.206 0.527 . . . . 0.0 111.21 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -146.05 164.5 31.93 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.851 1.66 . . . . 0.0 107.875 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -118.72 158.69 25.06 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.652 HG11 HG12 ' A' ' 25' ' ' VAL . 18.3 m -53.66 121.35 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.49 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.34 8.76 35.05 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 119.767 -0.463 . . . . 0.0 112.764 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -116.01 179.83 3.87 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.025 0.912 . . . . 0.0 110.184 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -140.59 169.94 16.72 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 121.76 0.79 . . . . 0.0 112.669 -172.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.1 mm -142.76 163.36 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 126.94 2.096 . . . . 0.0 106.631 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -137.94 154.84 49.37 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.662 -0.649 . . . . 0.0 111.781 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -141.14 144.43 26.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.48 -136.3 40.18 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -134.87 15.11 3.6 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.216 0.606 . . . . 0.0 109.987 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -141.14 8.52 2.06 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.612 0.765 . . . . 0.0 111.831 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.92 147.48 33.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 118.807 0.731 . . . . 0.0 110.848 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.5 m -140.39 154.62 46.76 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.217 1.007 . . . . 0.0 108.374 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -135.67 149.72 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -143.51 151.84 40.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.06 89.89 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.0 mt -69.26 -23.64 63.88 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -170.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.62 -176.43 44.14 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.744 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.652 HG12 HG11 ' A' ' 8' ' ' VAL . 9.2 p -141.07 144.76 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 123.777 0.831 . . . . 0.0 109.531 -175.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 m -149.95 73.7 1.18 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.764 0.826 . . . . 0.0 108.837 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.11 -139.39 29.46 Favored Glycine 0 C--N 1.338 0.685 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.27 -16.58 64.14 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.789 176.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.95 151.11 24.46 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 119.062 0.846 . . . . 0.0 109.076 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -143.7 133.18 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -99.1 130.25 45.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -128.4 153.89 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -169.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.37 152.92 17.49 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -178.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.5 mt -141.01 143.19 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -143.98 104.51 4.16 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.64 159.69 33.93 Favored Pre-proline 0 N--CA 1.451 -0.42 0 C-N-CA 124.125 0.97 . . . . 0.0 109.389 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -65.19 152.28 82.72 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.874 2.383 . . . . 0.0 110.316 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -69.57 -1.97 10.2 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.13 -0.356 . . . . 0.0 110.516 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -69.09 -7.16 33.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.985 0.914 . . . . 0.0 110.421 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.47 169.21 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.15 155.56 34.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.169 -0.332 . . . . 0.0 111.634 -172.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -146.73 131.41 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -158.18 169.11 25.25 Favored 'General case' 0 C--O 1.232 0.132 0 O-C-N 121.592 -0.693 . . . . 0.0 112.003 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.18 150.78 28.86 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.639 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.89 -23.98 65.62 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 122.302 -0.249 . . . . 0.0 111.109 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -78.91 -42.89 25.98 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.307 -0.246 . . . . 0.0 110.681 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -70.31 -33.76 55.59 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 C-N-CA 122.828 0.451 . . . . 0.0 110.029 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.1 t80 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 123.291 0.637 . . . . 0.0 111.58 -177.803 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmm . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 119.987 -0.054 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.81 115.18 16.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.0 138.88 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.91 0.884 . . . . 0.0 109.874 -172.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -160.91 168.06 25.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.844 0.458 . . . . 0.0 110.644 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.9 p -107.24 157.26 18.04 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.481 0.657 . . . . 0.0 111.575 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.1 OUTLIER -146.86 164.92 31.31 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.249 1.819 . . . . 0.0 107.19 175.186 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -117.37 161.97 18.68 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 171.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.612 HG11 HG12 ' C' ' 25' ' ' VAL . 20.0 m -51.59 128.31 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.589 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.69 8.68 57.04 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.499 -0.611 . . . . 0.0 112.761 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -113.67 176.1 5.17 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.42 1.11 . . . . 0.0 110.59 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.3 m -139.55 169.16 18.26 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -171.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.4 mm -141.24 161.52 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 127.012 2.125 . . . . 0.0 106.94 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -134.86 154.32 51.69 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.676 -0.64 . . . . 0.0 111.293 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -141.13 139.59 33.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.56 -131.41 46.55 Favored Glycine 0 C--N 1.337 0.629 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -139.41 17.61 2.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.396 0.679 . . . . 0.0 109.46 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -142.35 6.94 1.73 Allowed 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.94 0.496 . . . . 0.0 111.703 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.04 146.34 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.003 0.82 . . . . 0.0 110.783 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 61.9 m -140.99 152.95 45.33 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.0 mm -136.58 148.45 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -144.33 143.51 31.01 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.882 0.372 . . . . 0.0 110.108 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -97.77 93.43 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.24 -28.01 66.85 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.662 -170.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.93 -178.39 44.19 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.334 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.612 HG12 HG11 ' C' ' 8' ' ' VAL . 11.4 p -137.17 146.13 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.485 0.714 . . . . 0.0 109.654 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -147.89 71.61 1.19 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.561 1.144 . . . . 0.0 108.458 -177.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.58 -137.89 26.6 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -66.0 -18.01 65.06 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.584 -0.722 . . . . 0.0 110.783 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.4 149.34 26.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 119.075 0.852 . . . . 0.0 109.253 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.6 t -143.4 129.8 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -97.26 130.37 44.47 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -129.87 147.17 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 O-C-N 123.446 0.466 . . . . 0.0 109.906 -170.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.01 150.41 18.63 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 66.7 mt -137.45 144.43 31.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -144.18 105.98 4.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -176.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.28 158.66 34.41 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.576 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.65 153.01 79.5 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.767 2.311 . . . . 0.0 110.702 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -69.61 -2.04 10.52 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.221 -0.299 . . . . 0.0 110.545 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.1 -7.8 44.35 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.909 0.883 . . . . 0.0 110.546 172.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -136.86 169.62 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.25 157.59 26.75 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 122.21 -0.306 . . . . 0.0 111.822 -173.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 m -148.68 131.35 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 N-CA-C 108.336 -0.986 . . . . 0.0 108.336 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -158.03 166.8 31.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.52 0.676 . . . . 0.0 112.71 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.516 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 52.1 ttt180 -63.63 146.84 53.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.577 -1.192 . . . . 0.0 107.976 169.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -57.76 -23.85 54.21 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.516 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 13.0 tp10 -72.93 -45.06 60.19 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.072 -0.392 . . . . 0.0 110.361 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 mm -72.28 -30.48 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 C-N-CA 122.866 0.467 . . . . 0.0 110.406 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.7 t80 . . . . . 0 N--CA 1.449 -0.515 0 C-N-CA 124.154 0.982 . . . . 0.0 111.718 -176.654 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 mmm . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.151 0.5 . . . . 0.0 111.512 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -135.67 111.91 9.74 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 169.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.38 151.22 9.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 C-N-CA 123.663 0.785 . . . . 0.0 110.255 -171.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -149.68 175.55 11.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.237 1.015 . . . . 0.0 111.508 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -129.28 117.45 20.7 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 168.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -112.51 164.47 13.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -120.17 158.2 27.45 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.367 0.604 . . . . 0.0 110.168 171.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -53.24 129.73 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.897 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.91 8.79 58.93 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.605 -0.553 . . . . 0.0 112.549 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -118.03 -179.26 3.71 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 117.886 0.843 . . . . 0.0 110.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.8 m -139.79 170.54 15.69 Favored 'General case' 0 C--N 1.339 0.145 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -171.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.9 mt -143.23 165.62 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 126.163 1.785 . . . . 0.0 107.07 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -137.46 154.39 49.92 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.507 -0.746 . . . . 0.0 112.002 -175.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.22 139.77 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.063 0.945 . . . . 0.0 108.537 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.92 -134.2 40.27 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -137.52 17.73 2.91 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.467 0.707 . . . . 0.0 109.266 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -140.32 6.75 2.14 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.723 0.409 . . . . 0.0 111.526 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -132.55 147.14 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 CA-C-N 118.643 0.656 . . . . 0.0 110.552 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -139.84 153.54 47.09 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.5 mm -133.58 149.37 30.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -176.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m -141.21 154.16 45.67 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -117.91 86.74 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -66.46 -25.54 66.77 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -169.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.2 -177.07 41.35 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.714 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.4 m -129.34 162.11 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-O 121.214 0.53 . . . . 0.0 110.283 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -150.61 67.46 0.95 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 176.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.35 -134.55 21.29 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -65.76 -17.11 64.39 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.78 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.11 149.89 25.23 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.4 t -142.45 128.95 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -92.8 127.48 38.32 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -126.77 155.17 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -171.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.73 152.19 18.41 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.1 mt -141.08 143.15 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -143.89 102.55 3.91 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.18 159.23 33.15 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.679 0.792 . . . . 0.0 109.685 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.94 152.26 81.62 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.152 2.568 . . . . 0.0 110.977 175.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -65.13 -5.42 6.63 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 121.989 -0.444 . . . . 0.0 110.663 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.6 -6.46 15.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.865 0.866 . . . . 0.0 110.912 174.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -136.08 161.26 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.74 153.4 30.37 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 122.172 -0.33 . . . . 0.0 110.706 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.3 m -144.08 131.14 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -157.72 159.76 37.2 Favored 'General case' 0 N--CA 1.461 0.12 0 O-C-N 122.187 -0.321 . . . . 0.0 110.312 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' H ' ' HG2' ' A' ' 44' ' ' ARG . 15.3 ptt180 -61.44 149.61 38.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 170.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.51 -24.35 65.25 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -171.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -73.46 -42.9 61.36 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.769 -0.582 . . . . 0.0 110.274 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mp -71.52 -28.23 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 122.916 0.486 . . . . 0.0 109.697 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.1 t80 . . . . . 0 N--CA 1.451 -0.405 0 C-N-CA 122.298 0.239 . . . . 0.0 111.053 -179.215 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 119.547 -0.263 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -128.93 115.09 17.3 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.402 ' N ' HD12 ' C' ' 3' ' ' ILE . 4.9 mp -114.17 137.02 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.629 0.772 . . . . 0.0 109.395 -172.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.8 175.24 12.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.732 175.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -115.13 151.4 34.41 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.476 0.655 . . . . 0.0 111.54 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -145.51 166.15 26.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.953 1.701 . . . . 0.0 106.865 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -117.36 161.3 19.76 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.572 HG11 HG12 ' C' ' 25' ' ' VAL . 29.6 m -49.13 129.03 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.681 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.61 9.81 59.69 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.939 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -116.28 174.11 6.23 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.456 1.128 . . . . 0.0 110.361 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 52.6 m -138.34 170.49 15.93 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -169.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 44.4 mt -143.99 166.94 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 125.974 1.71 . . . . 0.0 107.005 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -138.08 150.73 47.16 Favored 'General case' 0 C--N 1.334 -0.093 0 O-C-N 121.71 -0.619 . . . . 0.0 111.063 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -147.4 143.27 19.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 123.459 0.704 . . . . 0.0 110.3 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.5 12.17 8.69 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.148 0.88 . . . . 0.0 114.975 171.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.5 t0 56.09 13.13 1.09 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -141.39 5.33 1.84 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.253 0.621 . . . . 0.0 110.694 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.22 148.15 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.8 m -138.11 152.38 48.7 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.2 mm -133.28 148.16 31.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.5 m -145.87 127.35 15.04 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -79.42 93.53 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.35 -27.44 67.13 Favored 'General case' 0 N--CA 1.458 -0.073 0 O-C-N 122.295 -0.253 . . . . 0.0 111.589 -172.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.25 179.42 41.75 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.572 HG12 HG11 ' C' ' 8' ' ' VAL . 11.4 p -134.47 145.15 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -147.84 72.18 1.22 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.45 -139.57 30.71 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -66.57 -16.81 64.44 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.09 -0.481 . . . . 0.0 111.174 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.84 147.02 27.02 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.83 123.21 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -89.63 130.51 35.91 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.51 149.05 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -171.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.2 152.96 17.75 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -138.62 144.45 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -144.22 106.03 4.31 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.77 158.07 40.1 Favored Pre-proline 0 CA--C 1.531 0.231 0 C-N-CA 123.592 0.757 . . . . 0.0 109.516 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.25 150.88 81.62 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.644 2.229 . . . . 0.0 110.117 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -67.49 -2.38 6.38 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.169 -0.332 . . . . 0.0 110.965 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.59 -7.89 42.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.592 0.757 . . . . 0.0 110.566 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -136.99 168.77 21.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.8 155.03 28.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 122.358 -0.214 . . . . 0.0 111.362 -173.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.4 m -146.33 130.45 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -155.53 159.61 39.86 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.163 0.506 . . . . 0.0 111.254 175.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -62.7 147.87 48.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 171.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -59.71 -23.82 63.46 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -78.37 -24.5 46.35 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 122.03 -0.419 . . . . 0.0 111.025 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.36 -33.72 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.068 0 C-N-CA 123.15 0.58 . . . . 0.0 109.466 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 78.0 t80 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 123.361 0.664 . . . . 0.0 111.295 -178.258 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.477 ' HG2' HD11 ' A' ' 3' ' ' ILE . 13.0 tpp . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.466 0.175 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.7 tm? -126.06 107.09 10.09 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 171.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.2 mp -100.74 144.37 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.182 0.993 . . . . 0.0 110.249 -175.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pp -163.67 175.69 10.35 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.584 0.754 . . . . 0.0 110.846 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.9 p -117.15 156.47 27.58 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 121.523 0.678 . . . . 0.0 111.218 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.89 164.23 32.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.341 1.456 . . . . 0.0 108.005 172.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -106.58 153.36 22.46 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.563 HG11 HG12 ' A' ' 25' ' ' VAL . 14.3 m -57.92 114.77 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.05 9.41 15.89 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.356 -0.691 . . . . 0.0 112.696 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -118.63 -179.53 3.83 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.278 1.039 . . . . 0.0 110.747 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -139.82 172.04 13.35 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -169.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.7 mt -152.52 167.48 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 126.742 2.017 . . . . 0.0 107.311 -172.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -143.39 154.71 44.0 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.154 0.502 . . . . 0.0 111.789 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.8 mt -139.26 143.61 30.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.86 -134.78 43.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -176.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -137.39 17.88 2.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -141.68 7.96 1.92 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.585 0.754 . . . . 0.0 111.526 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.48 147.12 33.16 Favored 'Isoleucine or valine' 0 C--N 1.339 0.144 0 CA-C-N 118.664 0.665 . . . . 0.0 110.166 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 m -140.77 153.96 46.07 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.256 1.022 . . . . 0.0 108.608 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -137.81 146.57 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 m -141.19 128.22 20.72 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.407 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.4 tp -81.0 98.1 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.25 -24.08 60.42 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.11 -172.64 40.8 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.316 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.563 HG12 HG11 ' A' ' 8' ' ' VAL . 7.4 p -144.2 146.05 21.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.866 0.866 . . . . 0.0 110.586 -173.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 m -150.85 99.81 2.75 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.131 0.972 . . . . 0.0 108.882 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.51 -126.62 38.04 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 -175.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -89.82 -9.6 48.54 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 117.783 0.791 . . . . 0.0 109.386 175.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -74.18 151.45 40.0 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.3 t -146.8 114.73 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -86.57 129.31 34.91 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.444 HD11 HH22 ' C' ' 6' ' ' ARG . 1.3 mt -136.55 150.04 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.87 156.31 15.74 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.9 mt -135.71 144.31 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -142.09 109.81 5.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.35 159.94 32.66 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.615 0.766 . . . . 0.0 109.121 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.1 153.31 78.62 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.903 2.402 . . . . 0.0 110.254 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -70.4 -1.29 10.24 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.057 -0.402 . . . . 0.0 110.569 176.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.1 -7.19 33.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.669 0.788 . . . . 0.0 110.758 171.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -137.24 169.27 19.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.079 0.952 . . . . 0.0 108.487 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.86 160.63 28.34 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.029 -0.419 . . . . 0.0 112.071 -172.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -145.81 133.95 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -156.5 164.1 38.63 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 122.104 -0.372 . . . . 0.0 110.345 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -68.15 153.44 43.73 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 172.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -57.7 -23.91 54.07 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.94 -44.16 55.86 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.276 0.489 . . . . 0.0 110.386 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -72.58 -31.21 36.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 121.145 0.497 . . . . 0.0 109.99 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 N--CA 1.45 -0.443 0 C-N-CA 123.603 0.761 . . . . 0.0 111.825 -177.149 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.537 ' HG2' HD11 ' C' ' 3' ' ' ILE . 9.0 tpp . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.777 -0.083 . . . . 0.0 110.777 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -119.53 106.0 11.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 169.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.537 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.9 mp -91.3 149.98 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 24.4 mt -143.2 168.41 19.83 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -145.12 112.18 6.0 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.532 ' HE ' HG21 ' C' ' 22' ' ' ILE . 0.0 OUTLIER -141.27 164.82 29.21 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.436 174.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -105.02 176.65 5.09 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -169.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.449 HG11 HG12 ' C' ' 25' ' ' VAL . 21.7 m -53.62 142.24 7.18 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.668 -175.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.66 -16.48 57.96 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.388 -0.673 . . . . 0.0 112.943 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -75.7 176.95 7.22 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.624 1.212 . . . . 0.0 111.164 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.7 m -144.4 159.49 42.64 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.313 0.645 . . . . 0.0 110.441 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.401 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 39.9 mm -143.68 164.88 14.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.025 1.33 . . . . 0.0 107.836 -176.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -140.07 154.53 47.09 Favored 'General case' 0 N--CA 1.457 -0.082 0 O-C-N 121.644 -0.66 . . . . 0.0 112.189 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -139.99 145.63 26.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 124.45 1.1 . . . . 0.0 108.787 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.38 -137.39 41.96 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -134.96 16.33 3.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.083 0.553 . . . . 0.0 109.915 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -142.67 9.55 1.78 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.755 0.822 . . . . 0.0 111.97 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.56 146.65 33.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 118.939 0.79 . . . . 0.0 110.866 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 60.5 m -138.47 154.71 48.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.189 0.996 . . . . 0.0 108.407 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.9 mm -136.52 147.07 27.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -141.34 137.74 32.59 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.532 HG21 ' HE ' ' C' ' 6' ' ' ARG . 2.4 tp -93.65 94.78 4.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.05 -24.89 61.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.834 -169.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.45 179.18 41.16 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.451 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.449 HG12 HG11 ' C' ' 8' ' ' VAL . 8.5 p -134.47 148.58 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.009 0.524 . . . . 0.0 109.616 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 63.0 m -146.02 67.0 1.2 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.363 1.065 . . . . 0.0 108.466 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.61 -137.16 25.48 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -65.71 -12.5 54.23 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 118.788 -0.625 . . . . 0.0 111.357 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -97.42 148.47 23.16 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 119.124 0.875 . . . . 0.0 109.45 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 26.7 t -135.59 142.68 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -109.37 127.59 54.46 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.27 154.25 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -170.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.45 154.54 20.05 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.0 mt -136.1 144.93 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -140.32 108.69 5.83 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.05 160.16 31.3 Favored Pre-proline 0 N--CA 1.451 -0.413 0 C-N-CA 123.596 0.758 . . . . 0.0 109.351 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -65.39 156.24 64.42 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.756 2.304 . . . . 0.0 110.834 175.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -68.53 -0.53 5.18 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-O 121.156 0.503 . . . . 0.0 110.149 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -66.41 -12.58 57.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.708 1.203 . . . . 0.0 110.133 172.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -138.59 169.44 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.845 1.258 . . . . 0.0 108.396 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.01 159.26 24.2 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.81 -0.557 . . . . 0.0 110.964 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.4 m -146.34 126.36 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -156.57 164.14 38.55 Favored 'General case' 0 CA--C 1.523 -0.069 0 O-C-N 122.299 -0.251 . . . . 0.0 110.328 175.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -64.96 156.74 30.21 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 171.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.77 -23.45 67.22 Favored 'General case' 0 C--N 1.333 -0.138 0 O-C-N 122.445 -0.159 . . . . 0.0 111.245 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.75 -47.22 63.83 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.824 0.345 . . . . 0.0 110.154 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.8 mm -72.94 -28.91 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 76.7 t80 . . . . . 0 N--CA 1.45 -0.441 0 C-N-CA 122.881 0.472 . . . . 0.0 110.667 179.824 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 2' ' ' LEU . 14.8 tpp . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.893 -0.04 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.2 tm? -125.54 108.1 11.27 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 169.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.447 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.3 mp -102.38 143.46 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.075 0 C-N-CA 123.583 0.753 . . . . 0.0 110.021 -175.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.13 169.89 20.08 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.044 0.537 . . . . 0.0 110.674 174.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.6 p -105.42 157.93 17.0 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.454 0.645 . . . . 0.0 111.335 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -148.41 163.88 35.8 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 176.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -120.6 157.64 29.08 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.387 0.613 . . . . 0.0 110.009 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.4 m -53.4 127.1 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.247 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.93 8.57 53.94 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 119.532 -0.593 . . . . 0.0 112.843 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -118.58 -176.74 3.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.163 0.982 . . . . 0.0 110.189 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.1 m -140.39 168.11 20.57 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -172.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' C' ' 44' ' ' ARG . 35.7 mm -141.33 162.98 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 126.627 1.971 . . . . 0.0 106.699 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -139.15 154.85 48.15 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.971 0.805 . . . . 0.0 112.284 -177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.7 mt -140.42 145.49 25.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 124.054 0.942 . . . . 0.0 108.654 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.7 -139.26 32.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -132.77 16.57 4.29 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.359 0.663 . . . . 0.0 110.065 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -142.06 8.85 1.88 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.812 0.845 . . . . 0.0 111.689 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.54 146.48 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 119.021 0.828 . . . . 0.0 110.797 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -139.86 155.74 47.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -137.54 146.4 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -136.33 150.17 48.74 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -110.81 91.26 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.23 -26.2 63.74 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.496 -168.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.91 -177.86 39.55 Favored Glycine 0 C--N 1.336 0.583 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.633 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 m -124.95 161.32 28.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.262 0.554 . . . . 0.0 110.534 176.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 m -151.19 63.93 0.9 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.94 -133.32 20.55 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.5 -18.59 65.43 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.118 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -86.87 148.77 25.22 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.0 t -140.23 129.0 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -90.95 129.99 36.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -134.42 155.25 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -170.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 156.69 21.76 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.4 mt -138.13 145.76 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -142.24 110.54 6.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.69 158.75 33.11 Favored Pre-proline 0 N--CA 1.452 -0.368 0 C-N-CA 123.614 0.765 . . . . 0.0 109.35 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.56 150.49 86.55 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.207 2.605 . . . . 0.0 110.406 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -64.45 -5.0 4.49 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 122.368 -0.207 . . . . 0.0 110.588 175.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -66.15 -7.04 15.54 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.393 0.677 . . . . 0.0 110.742 173.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -137.33 167.46 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.32 159.34 27.63 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.951 -0.468 . . . . 0.0 111.144 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.05 131.76 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -156.03 160.16 39.77 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.7 ptt85 -68.79 156.4 38.41 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 172.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.0 -24.11 56.87 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -169.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.49 -40.64 66.76 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.397 -0.814 . . . . 0.0 110.992 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.64 -31.34 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.1 t80 . . . . . 0 N--CA 1.453 -0.286 0 C-N-CA 122.683 0.393 . . . . 0.0 111.501 -176.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.564 ' HG2' HD11 ' C' ' 3' ' ' ILE . 6.8 tpp . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 110.767 -0.086 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.405 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.2 tm? -124.96 108.05 11.47 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 172.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.564 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.4 mp -96.54 151.25 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.728 1.211 . . . . 0.0 110.083 -172.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 38.4 mt -147.36 173.05 12.97 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.595 1.158 . . . . 0.0 111.268 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p -129.46 120.19 25.03 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 167.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 3.4 tpm_? -125.81 132.2 52.3 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -81.24 156.85 25.4 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.522 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.653 HG11 HG12 ' C' ' 25' ' ' VAL . 17.2 m -55.24 129.82 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.701 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.96 2.5 58.25 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.31 -0.717 . . . . 0.0 112.918 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -110.55 179.7 4.0 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.517 1.158 . . . . 0.0 110.752 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.8 m -137.81 171.49 14.35 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -170.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.424 HG22 ' N ' ' C' ' 13' ' ' ASN . 62.4 mt -152.9 166.28 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 127.015 2.126 . . . . 0.0 107.4 -170.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . 0.424 ' N ' HG22 ' C' ' 12' ' ' ILE . 18.7 m120 -142.39 154.73 44.87 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -140.33 145.72 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 114.662 -1.153 . . . . 0.0 108.611 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.97 -138.57 42.16 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -133.91 15.77 3.91 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.032 0.533 . . . . 0.0 110.048 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -142.23 9.74 1.88 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.553 0.741 . . . . 0.0 111.595 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.0 146.82 32.98 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.952 0.796 . . . . 0.0 110.889 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 40.7 m -136.04 153.44 51.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -137.4 147.42 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.9 m -140.7 148.1 40.26 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -107.43 85.57 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.5 mt -63.47 -25.23 68.17 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -167.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.27 -174.84 44.34 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.218 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.653 HG12 HG11 ' C' ' 8' ' ' VAL . 7.9 p -141.59 142.81 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.166 0.986 . . . . 0.0 109.292 -175.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.6 m -148.44 70.51 1.13 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.935 0.894 . . . . 0.0 108.616 -175.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.77 -138.76 28.98 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 108.801 -1.72 . . . . 0.0 108.801 -175.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.49 -16.49 64.16 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 118.808 -0.615 . . . . 0.0 110.973 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.64 149.36 25.38 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 52.9 t -141.5 142.51 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -111.39 128.88 56.11 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.6 154.94 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.81 -169.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.35 154.94 21.45 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.0 mt -136.45 144.7 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -138.89 106.72 5.65 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.11 160.93 30.73 Favored Pre-proline 0 N--CA 1.452 -0.357 0 C-N-CA 123.702 0.801 . . . . 0.0 109.426 -177.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -65.35 155.55 68.06 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.952 2.435 . . . . 0.0 110.601 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -68.05 -0.53 4.57 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 122.116 -0.365 . . . . 0.0 110.244 172.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.26 -11.71 51.98 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.434 1.094 . . . . 0.0 110.199 173.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -138.53 169.34 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.681 1.192 . . . . 0.0 108.258 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.51 158.83 26.43 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.172 -0.33 . . . . 0.0 111.065 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.1 m -146.13 130.22 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.074 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -157.98 171.0 21.04 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 122.112 -0.368 . . . . 0.0 110.531 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.409 ' HA ' HD13 ' A' ' 12' ' ' ILE . 76.9 mtm180 -68.1 156.92 36.41 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 170.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -59.69 -25.31 64.66 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.046 0.451 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.72 -48.21 55.73 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.353 0.661 . . . . 0.0 111.06 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -74.63 -27.14 20.51 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.13 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -176.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.2 t80 . . . . . 0 N--CA 1.451 -0.381 0 C-N-CA 123.578 0.751 . . . . 0.0 111.752 -178.494 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.587 ' HG2' HD11 ' A' ' 3' ' ' ILE . 8.0 tpp . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 120.499 0.19 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.0 tm? -128.28 109.97 11.96 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 171.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.587 HD11 ' HG2' ' A' ' 1' ' ' MET . 4.9 mp -104.16 144.25 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.242 1.017 . . . . 0.0 110.094 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -162.1 -178.73 6.58 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.142 0.577 . . . . 0.0 110.216 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -119.28 155.39 31.88 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.946 0.879 . . . . 0.0 111.053 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.404 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 4.7 tpm_? -148.82 163.85 36.17 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 177.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -134.75 166.57 22.65 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 119.582 1.083 . . . . 0.0 110.984 169.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.467 HG11 HG12 ' A' ' 25' ' ' VAL . 19.6 m -47.16 133.5 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 123.731 0.644 . . . . 0.0 112.462 -171.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.6 0.24 72.95 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.285 -0.73 . . . . 0.0 113.519 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -103.16 -178.61 3.71 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.493 1.147 . . . . 0.0 110.242 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -140.16 168.05 20.7 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -174.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.2 mt -143.83 162.82 15.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 125.923 1.689 . . . . 0.0 107.432 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -137.59 155.9 48.68 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.462 0.649 . . . . 0.0 111.443 -176.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.1 mt -142.88 140.8 27.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.395 1.078 . . . . 0.0 108.921 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.26 -135.51 44.18 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -177.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -136.5 16.28 3.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.183 0.593 . . . . 0.0 110.267 176.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -139.61 6.85 2.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.272 0.629 . . . . 0.0 111.573 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -129.62 146.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 CA-C-N 118.822 0.737 . . . . 0.0 110.368 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.8 m -138.81 154.86 48.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.0 mm -137.65 149.7 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -141.82 151.97 43.27 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -111.09 86.09 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.08 -25.9 68.0 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.381 -169.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.12 179.22 41.55 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.585 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG12 HG11 ' A' ' 8' ' ' VAL . 10.3 p -135.01 146.31 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -145.65 71.65 1.28 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.489 1.116 . . . . 0.0 108.168 -176.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.32 -136.7 23.95 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -175.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -67.67 -14.27 62.8 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.797 -0.621 . . . . 0.0 111.086 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.41 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 2.9 tp-100 -85.37 148.73 25.87 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.862 0.755 . . . . 0.0 109.533 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.4 t -142.09 126.09 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.0 ttm-85 -95.22 131.35 41.37 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -130.28 149.96 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.76 -169.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.36 148.93 18.87 Favored Glycine 0 C--N 1.332 0.345 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -137.62 143.82 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -144.55 104.87 4.1 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.58 159.18 36.84 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.311 0.644 . . . . 0.0 109.849 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.01 152.8 79.63 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.776 2.317 . . . . 0.0 110.592 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -69.4 -1.89 9.56 Favored 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.066 -0.396 . . . . 0.0 110.772 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -69.42 -7.59 39.09 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.812 0.845 . . . . 0.0 110.763 172.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.33 169.03 20.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.03 155.38 23.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.119 -0.363 . . . . 0.0 111.052 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -145.94 124.39 4.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.041 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -157.8 170.27 22.74 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 122.14 -0.35 . . . . 0.0 110.124 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.476 ' HA ' HD13 ' C' ' 12' ' ' ILE . 49.4 ptt85 -83.08 159.18 22.18 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -54.53 -32.79 58.87 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -169.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.79 -28.06 63.36 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.974 -0.454 . . . . 0.0 112.048 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -87.55 -27.68 5.67 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.3 t80 . . . . . 0 N--CA 1.452 -0.374 0 C-N-CA 123.028 0.531 . . . . 0.0 111.874 -178.231 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 35.3 mmm . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 120.929 0.395 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -135.74 114.63 12.1 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 167.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.32 142.11 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.212 -172.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.1 174.84 12.41 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.065 0.546 . . . . 0.0 110.882 176.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.8 p -116.25 156.88 25.8 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.764 0.793 . . . . 0.0 111.071 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.451 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.5 OUTLIER -146.03 164.89 30.66 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.399 1.48 . . . . 0.0 107.741 175.009 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 42.6 mtmt -116.18 165.15 13.48 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.561 172.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.9 m -58.12 131.91 22.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.465 -175.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.55 -13.52 61.14 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.637 0.637 . . . . 0.0 111.921 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -86.2 179.56 6.9 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.051 0.925 . . . . 0.0 110.921 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.6 m -140.18 168.33 20.06 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.519 0.676 . . . . 0.0 112.553 -175.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 44' ' ' ARG . 29.0 mm -140.09 161.47 25.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 126.492 1.917 . . . . 0.0 106.943 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -138.3 154.1 49.01 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 121.747 -0.596 . . . . 0.0 111.607 -177.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -142.27 143.8 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.57 -138.83 36.43 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -133.4 16.42 4.05 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.292 0.637 . . . . 0.0 110.263 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -141.76 8.45 1.92 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.696 0.798 . . . . 0.0 111.833 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.57 145.1 36.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 CA-C-N 119.044 0.838 . . . . 0.0 110.873 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 76.2 m -140.84 155.54 46.32 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.31 1.044 . . . . 0.0 108.588 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 mm -137.35 147.45 26.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -140.43 128.95 22.76 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.985 0.357 . . . . 0.0 110.285 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -82.82 96.9 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.97 -26.73 62.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -171.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.78 -176.6 40.57 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.49 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -128.48 161.49 37.08 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.332 0.587 . . . . 0.0 110.66 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.0 m -151.32 72.14 1.03 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.81 -136.63 23.21 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 -174.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.53 -20.36 66.31 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.2 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -76.65 150.08 36.42 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.88 119.23 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -89.58 131.87 35.38 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -135.22 152.26 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -172.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.67 157.0 18.88 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' MET . 66.0 mt -138.9 144.93 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -176.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -141.62 108.04 5.29 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.4 159.17 33.06 Favored Pre-proline 0 N--CA 1.451 -0.401 0 C-N-CA 123.883 0.873 . . . . 0.0 108.824 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.51 151.69 84.11 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 122.623 2.215 . . . . 0.0 110.339 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -68.3 -2.05 7.52 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.226 -0.296 . . . . 0.0 110.376 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.27 -7.17 34.51 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.114 0.966 . . . . 0.0 110.663 172.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.89 168.46 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.946 0.898 . . . . 0.0 108.595 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.63 156.32 26.06 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 122.327 -0.233 . . . . 0.0 111.317 -174.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.3 m -144.79 125.99 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.068 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -159.2 164.17 35.33 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.88 0.372 . . . . 0.0 110.854 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -66.14 159.65 25.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -57.35 -32.52 66.84 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.406 0.283 . . . . 0.0 111.433 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -69.64 -45.69 67.88 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 120.368 0.128 . . . . 0.0 111.238 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.2 -30.87 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.6 t80 . . . . . 0 CA--C 1.529 0.152 0 C-N-CA 123.715 0.806 . . . . 0.0 111.94 -178.805 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ttp . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.45 128.16 52.91 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -130.67 141.69 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 C-N-CA 123.43 0.692 . . . . 0.0 109.71 -171.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.24 169.69 21.71 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.504 176.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 p -108.56 153.03 23.94 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.252 0.549 . . . . 0.0 110.254 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 8.5 mmp_? -144.35 164.83 29.66 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.142 1.377 . . . . 0.0 107.891 175.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' C' ' 29' ' ' GLN . 40.3 mtmt -119.69 160.66 22.1 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 120.728 0.299 . . . . 0.0 110.774 176.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.2 m -55.45 121.66 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.537 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.67 -17.97 27.5 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.771 0.7 . . . . 0.0 112.492 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.59 175.86 10.15 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 118.438 1.119 . . . . 0.0 111.22 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -138.85 168.74 19.16 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 121.55 0.69 . . . . 0.0 111.666 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 12' ' ' ILE . 14.0 mt -143.51 169.67 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 C-N-CA 125.309 1.444 . . . . 0.0 107.238 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -140.81 150.91 43.92 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 118.179 0.445 . . . . 0.0 110.801 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -146.0 142.73 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 123.395 0.678 . . . . 0.0 110.45 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.15 12.98 8.5 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-O 119.229 -0.762 . . . . 0.0 114.83 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.3 t70 58.33 10.67 1.37 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -139.72 5.21 2.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.323 0.649 . . . . 0.0 110.711 176.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.03 146.17 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 m -136.62 151.06 48.91 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -133.07 149.33 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -144.23 124.28 13.61 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -77.46 95.29 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.82 -28.0 65.34 Favored 'General case' 0 C--O 1.23 0.073 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -172.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.23 -176.9 40.82 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.512 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -128.73 161.89 36.82 Favored 'Isoleucine or valine' 0 C--O 1.23 0.073 0 CA-C-O 121.396 0.617 . . . . 0.0 110.306 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.0 m -151.3 74.66 1.15 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.17 -140.17 29.36 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 108.191 -1.964 . . . . 0.0 108.191 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -67.48 -12.28 59.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 117.615 0.707 . . . . 0.0 111.762 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.95 149.36 30.86 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -141.46 120.48 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -90.84 133.75 34.98 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.16 151.72 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -172.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.93 148.09 18.36 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -137.85 144.54 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -143.14 103.99 4.22 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -176.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.36 158.76 43.46 Favored Pre-proline 0 C--O 1.233 0.235 0 C-N-CA 123.989 0.916 . . . . 0.0 109.895 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.77 151.78 81.83 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.97 2.446 . . . . 0.0 110.308 174.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -69.48 -1.48 8.69 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.789 -0.57 . . . . 0.0 110.575 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.49 -10.74 57.52 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.895 0.878 . . . . 0.0 110.504 171.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.6 m -133.42 168.86 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.87 160.66 29.31 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.157 -0.339 . . . . 0.0 111.59 -173.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 m -144.93 129.65 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -157.68 165.35 35.69 Favored 'General case' 0 C--N 1.339 0.121 0 O-C-N 121.813 -0.555 . . . . 0.0 110.289 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -59.94 152.85 22.6 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 171.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -60.91 -31.46 70.97 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 122.031 -0.418 . . . . 0.0 110.796 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -78.75 -20.58 49.58 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.4 mm -90.49 -26.37 5.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.137 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.6 t80 . . . . . 0 N--CA 1.453 -0.286 0 C-N-CA 123.953 0.901 . . . . 0.0 111.225 -179.61 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mmm . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.29 112.69 10.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 168.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -101.7 150.92 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.548 HD13 ' H ' ' C' ' 5' ' ' THR . 0.2 OUTLIER -155.74 162.54 40.51 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.933 0.493 . . . . 0.0 109.679 -172.182 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.548 ' H ' HD13 ' C' ' 4' ' ' LEU . 2.0 p -126.86 146.06 50.42 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 123.095 0.558 . . . . 0.0 110.135 171.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.469 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -143.66 169.02 18.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 174.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -118.84 161.79 19.57 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -55.22 129.12 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.939 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.04 -12.97 59.01 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 123.651 0.643 . . . . 0.0 112.649 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -88.04 175.34 7.8 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 118.218 1.009 . . . . 0.0 111.079 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -140.86 168.11 20.58 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -173.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.0 mt -142.3 165.53 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 126.43 1.892 . . . . 0.0 106.877 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -134.58 154.06 51.66 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 118.398 0.545 . . . . 0.0 110.376 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -139.94 143.98 29.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 123.888 0.875 . . . . 0.0 109.082 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.49 -131.31 51.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -136.98 10.6 3.07 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -145.13 10.32 1.3 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.338 0.655 . . . . 0.0 112.006 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.73 146.28 34.39 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 CA-C-N 118.963 0.802 . . . . 0.0 110.212 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -137.89 155.97 48.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -136.29 146.22 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.1 m -144.84 130.64 19.13 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.931 0.396 . . . . 0.0 110.169 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -82.98 95.16 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.01 -25.74 63.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -172.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.34 -179.95 40.06 Favored Glycine 0 CA--C 1.525 0.705 0 O-C-N 122.143 -0.348 . . . . 0.0 112.322 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 17.1 m -131.57 163.93 35.88 Favored 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.382 0.611 . . . . 0.0 110.647 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -151.23 67.81 0.92 Allowed 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.1 -133.8 15.71 Favored Glycine 0 C--N 1.336 0.551 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -65.66 -15.49 62.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 119.028 -0.511 . . . . 0.0 110.77 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 2.8 tp-100 -86.19 146.89 26.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 118.626 0.648 . . . . 0.0 109.314 177.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -141.88 125.05 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 ttm-85 -95.05 129.08 42.28 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.67 154.66 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -171.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.35 149.52 17.49 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -135.19 137.75 49.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -137.19 104.86 5.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -172.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.73 161.98 29.76 Favored Pre-proline 0 C--O 1.234 0.264 0 C-N-CA 123.973 0.909 . . . . 0.0 109.867 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.09 153.83 76.4 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.912 2.408 . . . . 0.0 110.424 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -71.12 -1.02 10.97 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.857 -0.527 . . . . 0.0 110.297 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.29 -6.27 28.36 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.996 0.918 . . . . 0.0 110.498 171.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -136.43 168.14 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 124.005 0.922 . . . . 0.0 108.527 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.99 159.14 28.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 122.221 -0.299 . . . . 0.0 111.276 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -145.24 131.23 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -159.97 167.49 27.85 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.206 0.457 . . . . 0.0 111.644 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -60.44 152.18 26.27 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 169.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.32 -24.98 65.44 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.213 -0.305 . . . . 0.0 111.491 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -75.14 -48.42 23.79 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.939 -0.476 . . . . 0.0 110.727 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.93 -25.97 38.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 34.6 t80 . . . . . 0 N--CA 1.45 -0.453 0 C-N-CA 122.823 0.449 . . . . 0.0 109.892 177.937 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 119.8 -0.143 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -129.37 113.12 14.56 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.8 mp -111.5 137.48 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.813 0.845 . . . . 0.0 109.227 -172.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -160.69 175.67 12.38 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.56 0.344 . . . . 0.0 111.019 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 p -117.65 152.41 35.24 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.308 0.575 . . . . 0.0 111.821 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.88 167.82 21.41 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 126.497 1.919 . . . . 0.0 107.055 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -119.81 161.89 20.02 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HA ' HG13 ' A' ' 22' ' ' ILE . 31.2 m -57.82 133.08 22.7 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.568 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.35 5.66 59.08 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 119.436 -0.647 . . . . 0.0 112.265 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -111.34 176.52 4.99 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.363 1.081 . . . . 0.0 110.895 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.5 m -136.96 169.05 18.42 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.15 167.73 11.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 125.785 1.634 . . . . 0.0 107.559 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -141.82 154.15 45.0 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.184 0.516 . . . . 0.0 111.065 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -140.0 139.04 37.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.66 -131.19 46.8 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.306 -1.517 . . . . 0.0 109.306 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -140.64 19.06 2.35 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.391 0.676 . . . . 0.0 109.203 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -141.17 6.27 1.94 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.125 0.57 . . . . 0.0 111.771 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.63 145.81 34.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.173 0 CA-C-N 118.528 0.604 . . . . 0.0 110.512 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.7 m -139.92 152.32 46.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 mm -136.6 149.37 26.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.7 m -144.25 128.02 17.26 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.7 tp -80.13 95.08 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 175.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.77 -27.95 65.35 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.77 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.02 -176.43 39.28 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.148 -0.549 . . . . 0.0 112.803 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.2 m -133.19 162.4 39.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 121.099 0.476 . . . . 0.0 111.254 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -150.52 75.79 1.23 Allowed 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.4 -107.85 3.14 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.424 HE21 ' CG2' ' C' ' 8' ' ' VAL . 14.5 mm100 -95.96 -12.22 25.38 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 172.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -71.57 153.71 41.96 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.324 0.583 . . . . 0.0 109.74 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 t -146.49 104.64 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm-85 -78.96 133.89 36.85 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -132.16 148.05 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.35 149.41 18.59 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -138.63 144.82 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -144.4 104.01 4.03 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -176.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.3 157.76 33.76 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.153 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.61 151.45 82.76 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.612 2.875 . . . . 0.0 111.028 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -64.74 -6.13 7.32 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.834 -0.541 . . . . 0.0 111.019 175.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.83 -7.18 19.72 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.542 0.737 . . . . 0.0 110.523 174.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.16 166.64 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.99 154.45 38.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.898 -0.501 . . . . 0.0 110.957 -174.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.79 124.84 7.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 O-C-N 123.318 0.386 . . . . 0.0 110.047 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -157.32 159.78 37.85 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.888 -0.508 . . . . 0.0 110.729 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -64.47 151.08 45.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -57.27 -30.04 64.35 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -70.44 -41.1 73.3 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 121.914 -0.491 . . . . 0.0 111.038 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -73.22 -26.88 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 N--CA 1.448 -0.528 0 C-N-CA 123.493 0.717 . . . . 0.0 110.806 179.549 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mmm . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 120.737 0.303 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -135.55 113.13 10.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 169.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.38 143.03 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 123.247 0.619 . . . . 0.0 109.453 -174.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -160.72 172.33 17.26 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.131 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -108.76 154.62 21.79 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.895 0.855 . . . . 0.0 110.432 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.66 HH21 HG22 ' C' ' 22' ' ' ILE . 3.7 mtp180 -149.38 -178.76 6.59 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 114.332 -1.304 . . . . 0.0 108.457 171.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -145.65 168.28 21.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.708 175.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.424 ' CG2' HE21 ' A' ' 28' ' ' GLN . 15.6 m -53.59 127.82 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-O 121.009 0.433 . . . . 0.0 111.694 -172.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.72 -16.3 51.58 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 123.716 0.675 . . . . 0.0 113.271 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -82.47 178.05 8.42 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.156 0.978 . . . . 0.0 111.728 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 61.5 m -144.69 165.02 29.24 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.326 0.584 . . . . 0.0 112.266 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.436 ' CD1' HH11 ' C' ' 6' ' ' ARG . 37.2 mt -137.87 163.04 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 125.785 1.634 . . . . 0.0 108.223 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -131.95 147.16 52.45 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -143.81 141.37 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 122.934 0.494 . . . . 0.0 110.463 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.18 13.76 7.45 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 123.787 0.708 . . . . 0.0 114.348 172.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 t70 56.11 12.9 1.04 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.305 1.042 . . . . 0.0 113.756 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -139.63 5.86 2.23 Favored 'General case' 0 C--N 1.34 0.19 0 O-C-N 121.698 -0.626 . . . . 0.0 110.43 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.4 148.77 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -137.75 152.33 49.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.2 mm -132.14 148.87 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -142.01 151.35 42.39 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.66 HG22 HH21 ' C' ' 6' ' ' ARG . 3.1 tp -111.7 87.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.26 -24.66 67.38 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.61 -169.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.45 -176.26 37.12 Favored Glycine 0 C--N 1.338 0.685 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.505 174.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 13.1 m -127.23 163.74 29.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.055 0.455 . . . . 0.0 110.981 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -150.75 75.65 1.22 Allowed 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.49 -141.15 29.35 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 107.713 -2.155 . . . . 0.0 107.713 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -68.97 -11.66 60.94 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.961 175.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.52 149.02 31.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -141.27 122.84 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 -175.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 31.6 ttm-85 -90.8 125.14 35.62 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.88 154.14 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.361 -172.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.34 151.83 16.88 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.2 mt -140.82 144.07 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -143.84 103.52 4.06 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -174.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.07 159.09 36.09 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.825 0.85 . . . . 0.0 109.801 -176.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.32 150.19 84.69 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.416 2.744 . . . . 0.0 110.351 173.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -64.7 -5.38 5.64 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.993 -0.442 . . . . 0.0 110.693 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -67.04 -7.21 21.02 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.618 0.767 . . . . 0.0 110.607 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.07 168.85 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.341 1.056 . . . . 0.0 108.517 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.51 155.81 32.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 122.269 -0.27 . . . . 0.0 111.342 -173.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 9.6 m -144.55 127.62 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.092 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -157.85 159.07 36.26 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -71.16 160.67 32.45 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.125 173.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -56.77 -23.47 43.3 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.518 0.727 . . . . 0.0 112.615 -175.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.36 -39.53 47.14 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.832 -0.543 . . . . 0.0 111.082 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.31 -33.0 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 t80 . . . . . 0 N--CA 1.453 -0.299 0 C-N-CA 123.042 0.537 . . . . 0.0 112.08 -175.699 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.581 ' HG2' HD11 ' A' ' 3' ' ' ILE . 9.9 tpp . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.533 0.206 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.436 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.9 tm? -128.54 106.15 8.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 172.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.581 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.0 mp -101.95 143.49 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.132 0.973 . . . . 0.0 110.535 -174.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.81 173.9 13.16 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.149 0.579 . . . . 0.0 110.453 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.3 p -113.94 156.32 24.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.069 0.461 . . . . 0.0 111.903 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.69 164.21 32.49 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.12 1.368 . . . . 0.0 108.535 170.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -107.52 160.82 15.37 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.7 m -59.95 128.82 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.522 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.86 10.01 53.28 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 119.344 -0.698 . . . . 0.0 112.903 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -116.48 174.58 5.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 118.416 1.108 . . . . 0.0 110.717 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -137.47 174.19 10.86 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -168.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -152.81 165.73 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 127.383 2.273 . . . . 0.0 106.579 -173.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -143.68 154.37 43.44 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 118.329 0.513 . . . . 0.0 112.237 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.2 mt -146.7 150.41 14.99 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 123.879 0.872 . . . . 0.0 110.017 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.27 13.81 7.72 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.545 1.069 . . . . 0.0 114.87 170.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 55.57 12.11 0.74 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.2 1.0 . . . . 0.0 113.533 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -142.18 9.86 1.9 Allowed 'General case' 0 C--N 1.34 0.192 0 C-N-CA 123.358 0.663 . . . . 0.0 110.772 175.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.95 150.3 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 121.302 0.573 . . . . 0.0 109.592 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.3 m -137.4 149.93 47.29 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 mm -133.03 147.53 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -146.14 128.23 15.61 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -78.72 96.49 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 174.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -70.23 -27.53 64.53 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.24 -0.287 . . . . 0.0 111.087 -173.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.87 -178.84 39.16 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.04 164.2 26.27 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 121.126 0.488 . . . . 0.0 110.838 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -151.28 73.08 1.08 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.32 -138.67 29.53 Favored Glycine 0 C--N 1.337 0.629 0 N-CA-C 108.881 -1.688 . . . . 0.0 108.881 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -67.45 -12.72 60.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.245 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.75 150.11 24.81 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 52.3 t -140.73 127.42 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -95.28 131.25 41.56 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.78 151.49 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -171.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.4 149.48 18.01 Favored Glycine 0 C--N 1.333 0.362 0 N-CA-C 108.516 -1.834 . . . . 0.0 108.516 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -138.56 143.87 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -144.22 104.46 4.11 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.165 0.507 . . . . 0.0 109.943 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.28 157.92 41.8 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 123.844 0.857 . . . . 0.0 108.727 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -61.97 146.42 96.32 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.175 1.917 . . . . 0.0 108.82 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -62.59 -8.41 6.4 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.023 0.44 . . . . 0.0 110.916 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.55 -6.5 15.28 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.427 1.891 . . . . 0.0 112.258 176.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -132.76 169.02 22.82 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.5 153.25 30.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 117.697 0.226 . . . . 0.0 111.507 -173.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 m -147.13 128.84 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -158.87 163.97 36.13 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 118.184 0.447 . . . . 0.0 110.035 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -64.91 155.77 33.2 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 171.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -57.32 -30.74 65.04 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.117 -0.365 . . . . 0.0 111.722 -176.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.57 -35.94 70.75 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 122.124 -0.36 . . . . 0.0 111.309 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -82.71 -30.46 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -176.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 63.6 t80 . . . . . 0 N--CA 1.452 -0.345 0 C-N-CA 123.803 0.841 . . . . 0.0 111.236 179.116 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mmm . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.731 0.301 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.61 113.66 11.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 169.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -112.02 141.85 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.07 0.948 . . . . 0.0 109.797 -172.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -163.25 176.12 10.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.926 0.49 . . . . 0.0 110.591 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 23.8 p -122.07 153.98 37.93 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.298 0.57 . . . . 0.0 111.188 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.453 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -147.7 168.08 23.01 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.721 1.608 . . . . 0.0 107.199 173.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -115.06 162.09 17.48 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.851 0.358 . . . . 0.0 110.332 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.4 m -54.81 127.56 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.687 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.04 -15.01 55.58 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.679 0.657 . . . . 0.0 112.241 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -84.68 178.14 7.78 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.019 0.91 . . . . 0.0 110.84 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 28.3 m -139.53 166.77 23.71 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.374 0.607 . . . . 0.0 112.291 -174.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.408 HD13 HG21 ' C' ' 12' ' ' ILE . 37.1 mt -142.63 167.37 14.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 125.627 1.571 . . . . 0.0 107.081 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -140.62 154.65 46.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.807 -0.558 . . . . 0.0 111.351 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -139.83 141.62 33.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 123.865 0.866 . . . . 0.0 108.743 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.78 -133.84 49.96 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -137.68 17.15 2.89 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -142.04 6.96 1.79 Allowed 'General case' 0 C--O 1.231 0.089 0 C-N-CA 123.237 0.615 . . . . 0.0 111.766 -178.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.1 147.41 33.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 118.801 0.728 . . . . 0.0 110.506 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.0 m -138.07 154.98 49.23 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -136.99 146.5 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -177.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.6 m -140.64 129.49 23.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.5 95.2 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -69.2 -29.76 67.79 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.062 -170.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.13 -175.67 40.2 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.55 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 m -124.93 163.07 26.04 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 CA-C-O 121.092 0.473 . . . . 0.0 110.44 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -151.51 68.75 0.91 Allowed 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.48 -138.54 29.09 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -172.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -65.34 -13.06 57.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.793 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -88.65 145.94 25.38 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -133.72 131.47 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -177.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.9 ttm-85 -101.0 129.06 46.78 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.23 154.95 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 -170.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.49 20.23 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 1' ' ' MET . 5.3 mp -133.42 144.88 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -137.53 108.78 6.83 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.78 160.06 31.36 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.045 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.52 152.64 80.36 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.387 2.725 . . . . 0.0 110.75 174.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -65.19 -6.01 8.32 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 122.208 -0.308 . . . . 0.0 110.59 175.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -66.58 -7.86 23.08 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.329 0.652 . . . . 0.0 111.094 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.0 166.06 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 154.03 31.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 121.231 -0.187 . . . . 0.0 110.988 -173.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.5 m -145.26 129.61 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -157.15 159.89 38.24 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -66.08 158.14 29.26 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 169.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.61 -23.03 57.97 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -173.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.75 -45.34 62.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.072 -0.393 . . . . 0.0 110.37 -177.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.25 -28.88 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.2 t80 . . . . . 0 N--CA 1.452 -0.357 0 C-N-CA 122.289 0.236 . . . . 0.0 111.247 -178.255 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ttp . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 111.137 0.051 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.78 127.69 49.48 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.88 141.3 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 C-N-CA 123.201 0.6 . . . . 0.0 109.603 -171.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.53 163.52 32.75 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.236 176.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -94.88 155.46 16.77 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.434 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 1.0 OUTLIER -148.77 140.18 23.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.165 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -96.06 159.15 15.11 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.728 0.694 . . . . 0.0 110.452 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.526 HG11 HG12 ' A' ' 25' ' ' VAL . 27.5 m -52.25 140.48 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.86 -15.65 58.71 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 119.256 -0.747 . . . . 0.0 113.328 175.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -81.7 179.49 7.81 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.718 1.259 . . . . 0.0 111.005 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -138.71 170.22 16.38 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.427 0.632 . . . . 0.0 112.237 -174.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.4 mt -153.36 158.53 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 126.169 1.787 . . . . 0.0 107.555 -172.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -137.07 153.98 50.45 Favored 'General case' 0 C--O 1.231 0.086 0 O-C-N 122.125 -0.359 . . . . 0.0 110.65 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -146.54 146.77 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.631 0.772 . . . . 0.0 110.037 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.24 14.86 4.86 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.54 1.067 . . . . 0.0 114.82 171.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 54.5 12.87 0.58 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -140.44 8.19 2.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.364 0.665 . . . . 0.0 110.51 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.21 146.61 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -135.33 151.12 50.22 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -135.09 145.65 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -137.37 128.64 27.94 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.13 88.26 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.3 mt -63.71 -24.8 67.92 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.84 -177.67 42.02 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.475 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.526 HG12 HG11 ' A' ' 8' ' ' VAL . 11.7 p -137.65 146.84 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.451 0.7 . . . . 0.0 109.174 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -147.61 68.85 1.13 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.014 0.926 . . . . 0.0 108.55 -176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.31 -135.6 22.62 Favored Glycine 0 C--N 1.336 0.551 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -65.79 -17.7 64.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.859 176.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.432 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 2.5 tp-100 -86.33 149.4 25.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.684 0.674 . . . . 0.0 109.919 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -143.07 133.84 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -107.61 133.39 52.12 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -135.58 155.61 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.08 -170.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.88 153.52 19.37 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.8 mt -135.82 144.91 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -143.01 108.87 5.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.76 159.04 36.79 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.743 0.817 . . . . 0.0 109.095 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.52 150.38 88.66 Favored 'Trans proline' 0 N--CA 1.449 -1.104 0 C-N-CA 122.313 2.009 . . . . 0.0 109.782 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -68.97 -0.72 5.99 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.766 -0.584 . . . . 0.0 110.557 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -68.52 -7.68 34.48 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.19 0.996 . . . . 0.0 110.815 171.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -135.84 169.17 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.0 160.57 27.33 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.151 -0.343 . . . . 0.0 111.485 -173.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 m -144.86 131.62 15.53 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.062 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -156.37 167.08 31.56 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 117.886 0.312 . . . . 0.0 110.91 175.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -61.82 156.35 20.8 Favored 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 171.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -62.21 -37.36 85.05 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.157 -0.339 . . . . 0.0 111.07 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -72.49 -20.88 61.29 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.097 0.559 . . . . 0.0 112.0 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.5 mm -90.69 -30.32 4.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.1 t80 . . . . . 0 N--CA 1.449 -0.519 0 C-N-CA 124.347 1.059 . . . . 0.0 111.454 -176.806 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.466 ' HG2' HD11 ' C' ' 3' ' ' ILE . 15.3 tpp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 110.783 -0.08 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' C' ' 1' ' ' MET . 2.9 tm? -124.35 102.33 7.62 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 169.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.466 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.6 mp -85.04 150.6 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.553 0.741 . . . . 0.0 109.032 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.644 HD13 ' H ' ' C' ' 5' ' ' THR . 0.2 OUTLIER -154.77 165.66 35.91 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -173.035 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.644 ' H ' HD13 ' C' ' 4' ' ' LEU . 0.0 OUTLIER -134.42 146.34 49.75 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -148.63 162.57 39.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -175.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.432 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 41.6 mtmt -120.04 161.4 21.01 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.469 0.652 . . . . 0.0 110.448 172.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -56.6 129.02 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.317 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.94 7.05 56.75 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.463 -0.632 . . . . 0.0 113.099 178.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -115.29 179.48 3.95 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.322 1.061 . . . . 0.0 110.464 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.8 m -141.27 170.26 16.06 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -173.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 49.6 mt -143.58 165.83 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 126.513 1.925 . . . . 0.0 106.957 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -136.76 154.93 50.44 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-N 118.564 0.62 . . . . 0.0 111.808 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -139.64 146.44 25.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -137.71 42.05 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -135.27 17.17 3.42 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.956 0.502 . . . . 0.0 109.692 175.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -143.23 9.29 1.65 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.69 0.796 . . . . 0.0 111.597 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.03 149.08 33.36 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 CA-C-N 118.893 0.769 . . . . 0.0 110.819 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 45.4 m -139.3 154.54 47.94 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.6 mm -135.15 148.61 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -144.21 150.08 37.41 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -111.45 90.26 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.64 -24.64 63.66 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.225 -169.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.98 -177.77 40.34 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.607 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -127.27 161.67 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 CA-C-O 121.381 0.61 . . . . 0.0 110.731 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 56.9 m -151.17 64.4 0.9 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.36 -135.93 21.61 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.4 -14.98 62.1 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 117.463 0.631 . . . . 0.0 110.98 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -88.95 149.63 23.21 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.03 131.26 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -95.02 128.69 42.04 Favored 'General case' 0 CA--C 1.523 -0.087 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -131.38 154.44 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -170.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.33 149.79 17.54 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -136.75 140.05 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -141.75 104.37 4.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 -172.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.97 162.05 30.49 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 124.003 0.921 . . . . 0.0 109.372 -177.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.8 151.49 85.52 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.759 2.306 . . . . 0.0 110.352 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -67.76 -1.84 6.06 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.837 -0.539 . . . . 0.0 110.697 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -68.39 -7.76 34.34 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.921 0.889 . . . . 0.0 110.481 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -136.26 168.98 21.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.45 159.32 32.22 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 122.007 -0.433 . . . . 0.0 111.314 -174.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.53 130.32 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -157.12 162.2 39.41 Favored 'General case' 0 C--O 1.231 0.129 0 O-C-N 121.732 -0.605 . . . . 0.0 110.81 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -59.11 147.44 34.99 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 169.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.13 -22.4 64.64 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.27 0.486 . . . . 0.0 112.238 -175.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -72.21 -43.03 65.07 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.73 -0.606 . . . . 0.0 110.479 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.7 mm -73.58 -31.94 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 93.7 t80 . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 123.98 0.912 . . . . 0.0 111.5 -179.157 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.474 ' HG2' HD11 ' A' ' 3' ' ' ILE . 11.9 tpp . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 120.353 0.121 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.8 tm? -127.35 105.35 8.47 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 171.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.474 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.0 mp -99.95 141.86 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.176 0.99 . . . . 0.0 110.179 -174.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.08 167.42 24.35 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.233 0.613 . . . . 0.0 110.583 173.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 p -98.98 160.31 14.35 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.258 0.551 . . . . 0.0 110.359 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -147.95 158.35 44.0 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 172.717 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -102.99 153.71 19.97 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.12 131.03 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.72 6.11 59.65 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 119.411 -0.661 . . . . 0.0 112.809 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -115.86 179.62 3.93 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.457 1.129 . . . . 0.0 110.792 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -135.27 171.57 14.24 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -169.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mt -153.06 159.86 3.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 127.31 2.244 . . . . 0.0 106.52 -171.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -138.07 154.96 49.23 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 118.696 0.68 . . . . 0.0 111.463 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -141.0 142.84 29.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 124.677 1.191 . . . . 0.0 108.733 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.69 -137.69 45.52 Favored Glycine 0 C--N 1.336 0.534 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -135.02 14.87 3.56 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.117 0.567 . . . . 0.0 110.45 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -140.03 8.31 2.28 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.577 0.751 . . . . 0.0 111.548 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.23 146.41 34.28 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 CA-C-N 118.867 0.758 . . . . 0.0 110.801 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.2 m -136.72 156.93 47.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.377 1.071 . . . . 0.0 108.294 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -137.66 146.84 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -140.83 145.04 35.73 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -104.91 90.52 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.24 -26.75 66.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -168.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.78 -177.04 39.02 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.818 176.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.2 m -125.72 162.24 29.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.404 0.621 . . . . 0.0 110.583 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -151.35 65.18 0.89 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.38 -135.92 21.59 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 109.014 -1.634 . . . . 0.0 109.014 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.68 -16.45 63.76 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.693 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.23 150.78 24.14 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -142.3 134.62 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttm-85 -99.37 128.5 45.49 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -132.45 155.05 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 -171.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.9 153.51 20.34 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' C' ' 1' ' ' MET . 73.7 mt -137.32 144.63 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -140.85 109.43 5.94 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.838 0.351 . . . . 0.0 110.473 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.48 159.64 32.35 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.529 1.132 . . . . 0.0 108.042 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -60.68 149.08 89.36 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 122.011 1.808 . . . . 0.0 108.897 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -61.41 -6.73 2.45 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.256 0.55 . . . . 0.0 110.186 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.58 -11.12 14.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.413 1.885 . . . . 0.0 112.459 176.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -132.29 172.05 17.03 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.93 152.19 31.19 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 122.211 -0.306 . . . . 0.0 110.967 -174.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.7 m -147.48 126.35 4.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -157.78 161.93 38.45 Favored 'General case' 0 N--CA 1.457 -0.106 0 O-C-N 121.782 -0.574 . . . . 0.0 110.956 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -65.54 153.37 41.67 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 172.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -59.07 -29.96 67.71 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.162 0.185 . . . . 0.0 111.466 -176.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -69.18 -40.84 77.86 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.305 0.242 . . . . 0.0 110.47 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -74.86 -31.35 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.8 t80 . . . . . 0 N--CA 1.453 -0.322 0 C-N-CA 123.706 0.802 . . . . 0.0 111.59 -177.031 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.507 ' HG2' HD11 ' C' ' 3' ' ' ILE . 12.4 tpp . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 120.483 0.182 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.436 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.1 tm? -128.85 106.11 8.69 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 172.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.507 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.9 mp -101.07 142.59 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 123.902 0.881 . . . . 0.0 109.369 -175.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp -162.28 -179.31 6.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.884 0.474 . . . . 0.0 110.632 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -119.68 152.41 37.17 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.491 0.662 . . . . 0.0 111.104 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.5 OUTLIER -145.7 168.63 20.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.523 1.529 . . . . 0.0 107.755 176.361 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -118.93 163.33 17.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 174.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.558 HG11 HG12 ' C' ' 25' ' ' VAL . 21.3 m -53.29 136.27 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.692 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.5 -13.89 65.37 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 123.485 0.564 . . . . 0.0 112.485 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -81.96 179.18 7.91 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.908 0.854 . . . . 0.0 111.165 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -140.93 168.85 18.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.379 0.609 . . . . 0.0 111.841 -176.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.421 HG22 ' H ' ' C' ' 13' ' ' ASN . 14.6 mt -143.47 170.05 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 125.603 1.561 . . . . 0.0 107.468 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . 0.421 ' H ' HG22 ' C' ' 12' ' ' ILE . 8.8 t-20 -140.48 154.45 46.6 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.7 -0.625 . . . . 0.0 111.538 -176.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -140.46 138.64 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.07 -129.61 47.91 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 -175.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -141.58 15.5 2.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.037 0.535 . . . . 0.0 110.131 174.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -137.1 7.53 2.91 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.503 0.721 . . . . 0.0 111.526 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.06 143.68 40.3 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-N 118.395 0.543 . . . . 0.0 109.549 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 19.5 m -138.37 155.93 48.07 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -137.35 148.71 25.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -138.86 150.36 45.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -110.99 88.18 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.62 -24.84 67.14 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.262 -168.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.89 -179.01 42.49 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.392 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.558 HG12 HG11 ' C' ' 8' ' ' VAL . 11.6 p -132.69 145.53 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.081 0.552 . . . . 0.0 109.682 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -146.21 60.9 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.491 1.117 . . . . 0.0 108.87 -174.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.03 -136.14 23.68 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.79 -10.06 34.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.335 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -103.39 145.39 30.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 119.048 0.84 . . . . 0.0 109.302 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 31.8 t -135.45 141.12 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -105.47 126.99 52.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -130.78 155.39 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.917 -170.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.54 155.23 21.27 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 1' ' ' MET . 70.4 mt -136.59 144.98 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -140.0 108.25 5.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.14 158.96 32.76 Favored Pre-proline 0 N--CA 1.451 -0.379 0 C-N-CA 123.463 0.705 . . . . 0.0 109.954 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.88 151.5 85.53 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.254 2.636 . . . . 0.0 110.635 174.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -65.2 -4.52 5.21 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.014 -0.429 . . . . 0.0 110.681 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.01 -7.05 19.62 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.636 0.774 . . . . 0.0 110.872 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.33 165.55 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.22 156.29 29.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.078 -0.389 . . . . 0.0 110.922 -174.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 m -144.95 130.99 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -158.8 167.57 29.12 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 122.128 -0.358 . . . . 0.0 110.363 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -60.62 152.27 26.8 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 169.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.91 -23.13 67.22 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.927 0.785 . . . . 0.0 111.576 -178.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -73.12 -30.98 64.02 Favored 'General case' 0 CA--C 1.527 0.083 0 O-C-N 121.816 -0.552 . . . . 0.0 110.877 175.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.7 mm -90.32 -22.4 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.0 t80 . . . . . 0 N--CA 1.452 -0.331 0 C-N-CA 122.896 0.478 . . . . 0.0 110.016 175.748 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.437 ' HG2' HD11 ' A' ' 3' ' ' ILE . 10.3 tpp . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.1 tm? -125.63 103.52 7.89 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 172.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.437 HD11 ' HG2' ' A' ' 1' ' ' MET . 4.4 mp -93.18 151.5 3.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 125.043 1.337 . . . . 0.0 110.442 -174.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt -151.28 175.99 11.67 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 124.107 0.963 . . . . 0.0 111.403 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 p -128.77 122.66 31.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 167.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -123.19 136.14 54.62 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.673 0.789 . . . . 0.0 109.512 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -82.96 156.17 23.61 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 176.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.676 HG11 HG12 ' A' ' 25' ' ' VAL . 14.3 m -57.0 133.0 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.26 2.68 65.78 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.323 -0.709 . . . . 0.0 113.43 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -106.18 179.61 4.22 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.336 1.068 . . . . 0.0 110.552 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -137.69 171.38 14.53 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -170.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -152.09 165.49 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 126.93 2.092 . . . . 0.0 107.037 -173.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -140.27 154.75 46.95 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 121.556 -0.715 . . . . 0.0 111.737 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -140.64 140.16 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.83 -136.38 47.76 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 -177.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -136.44 17.49 3.15 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -141.25 6.3 1.92 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.95 0.5 . . . . 0.0 111.544 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.78 147.73 33.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 118.649 0.659 . . . . 0.0 110.38 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -137.7 151.67 48.47 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.7 mm -135.41 149.2 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.9 m -143.96 151.7 40.1 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.64 87.32 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.29 -25.23 68.21 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -168.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.69 -174.53 43.95 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.531 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.676 HG12 HG11 ' A' ' 8' ' ' VAL . 13.8 p -141.67 144.04 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.579 0.752 . . . . 0.0 109.855 -176.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -148.18 71.22 1.16 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.024 0.93 . . . . 0.0 108.676 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.7 -138.61 28.86 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 -175.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -66.11 -17.32 64.63 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.921 -0.561 . . . . 0.0 110.707 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.91 148.63 25.69 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -144.36 133.92 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -176.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -101.69 131.37 47.99 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -129.33 150.21 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.534 -169.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.13 145.8 17.23 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -137.27 144.2 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -144.06 104.51 4.14 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.24 159.55 33.37 Favored Pre-proline 0 N--CA 1.454 -0.253 0 C-N-CA 123.629 0.772 . . . . 0.0 109.858 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -66.93 153.38 78.11 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.501 2.801 . . . . 0.0 110.701 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -64.68 -1.34 1.82 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.072 -0.392 . . . . 0.0 110.213 173.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -66.42 -10.84 47.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.314 1.046 . . . . 0.0 110.301 173.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -138.07 167.99 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 124.582 1.153 . . . . 0.0 107.921 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.61 154.69 36.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.14 -0.35 . . . . 0.0 110.68 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -145.06 128.09 10.89 Favored 'Isoleucine or valine' 0 C--O 1.229 0.026 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -157.57 163.24 38.55 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.865 0.364 . . . . 0.0 111.054 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -64.23 156.13 29.7 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 169.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -58.59 -30.33 67.12 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.374 -0.204 . . . . 0.0 111.544 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -72.05 -42.18 66.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.956 -0.465 . . . . 0.0 111.618 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.81 -27.3 16.62 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.095 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.6 t80 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.605 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mmm . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 121.038 0.447 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -135.92 114.41 11.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 168.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -113.42 142.14 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 C-N-CA 123.324 0.65 . . . . 0.0 109.742 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -161.85 171.1 18.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.923 0.489 . . . . 0.0 110.674 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.4 p -104.95 157.94 16.88 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.601 0.715 . . . . 0.0 110.726 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 4.8 tpm_? -147.09 164.14 34.04 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -124.48 157.39 35.38 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.527 0.603 . . . . 0.0 110.157 172.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -53.05 126.6 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.451 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.28 8.93 54.52 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-O 119.488 -0.618 . . . . 0.0 112.926 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -116.19 177.84 4.54 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.203 1.001 . . . . 0.0 110.016 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -138.82 168.84 18.93 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -171.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -144.02 164.25 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.193 1.797 . . . . 0.0 106.695 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -137.67 151.52 48.35 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 121.723 -0.611 . . . . 0.0 110.811 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -145.77 142.51 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.471 0.708 . . . . 0.0 110.24 -177.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.1 13.96 7.56 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.129 0.871 . . . . 0.0 114.592 172.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 55.62 12.17 0.76 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.49 1.116 . . . . 0.0 113.731 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -139.48 5.71 2.25 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.451 0.7 . . . . 0.0 110.635 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -132.17 148.25 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 12.3 m -138.22 154.25 49.1 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.0 mm -133.36 144.74 35.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m -139.07 128.4 24.17 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -84.86 92.42 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 38.4 mt -69.9 -24.05 63.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.511 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.21 -177.52 39.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 177.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -124.17 162.89 24.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 121.651 0.739 . . . . 0.0 110.67 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.4 t -150.88 59.02 0.92 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.32 -132.53 18.74 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -177.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -65.42 -12.33 51.3 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 118.958 -0.544 . . . . 0.0 110.984 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -98.42 147.76 24.39 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.9 t -135.92 130.91 49.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 -177.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -93.17 127.56 38.78 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -135.39 155.27 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -171.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.66 158.1 22.4 Favored Glycine 0 C--N 1.333 0.4 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 1' ' ' MET . 61.2 mt -135.86 144.59 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -139.23 110.67 7.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.26 160.1 31.85 Favored Pre-proline 0 N--CA 1.45 -0.462 0 C-N-CA 123.49 0.716 . . . . 0.0 109.58 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.81 153.29 78.76 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.031 2.487 . . . . 0.0 109.981 173.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -67.42 -0.35 3.61 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 122.113 -0.367 . . . . 0.0 110.024 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.38 -11.98 54.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.591 1.156 . . . . 0.0 109.962 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 m -139.01 169.61 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.559 1.144 . . . . 0.0 108.354 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.6 158.1 29.31 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.493 0.187 . . . . 0.0 110.861 -175.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -145.47 130.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.34 0.169 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -156.86 164.13 38.41 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 118.024 0.374 . . . . 0.0 110.558 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -64.04 156.22 28.8 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 171.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -60.5 -24.0 64.96 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.254 -0.279 . . . . 0.0 111.457 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -68.82 -50.7 47.9 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.848 -0.532 . . . . 0.0 110.491 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.0 -27.97 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -173.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 73.7 t80 . . . . . 0 N--CA 1.45 -0.474 0 C-N-CA 122.649 0.38 . . . . 0.0 110.697 179.786 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 ttp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 119.71 -0.186 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -119.43 125.46 49.01 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -125.8 144.36 36.15 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 123.244 0.618 . . . . 0.0 110.137 -170.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.39 168.66 24.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.716 0.806 . . . . 0.0 109.389 174.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.7 p -104.31 157.34 17.21 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.868 174.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.408 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 2.4 tpm_? -147.39 139.15 24.12 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -86.0 156.32 20.49 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -58.45 133.79 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.084 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.16 4.99 60.97 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.411 -0.661 . . . . 0.0 112.857 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -114.46 177.59 4.59 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.248 1.024 . . . . 0.0 110.401 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -137.26 171.29 14.71 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -169.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.4 mt -144.7 166.76 11.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 126.589 1.956 . . . . 0.0 106.727 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -142.34 154.26 44.52 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 121.568 -0.708 . . . . 0.0 112.119 -176.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.8 mt -146.5 151.08 14.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 C-N-CA 123.815 0.846 . . . . 0.0 110.2 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 15.19 9.72 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.457 1.027 . . . . 0.0 114.9 169.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 55.96 12.01 0.83 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.225 1.01 . . . . 0.0 113.581 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -144.74 8.02 1.28 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.543 0.737 . . . . 0.0 111.157 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.22 149.82 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-O 121.447 0.641 . . . . 0.0 109.659 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -137.07 150.31 47.96 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.5 mm -132.91 146.5 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -143.22 126.7 16.82 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -80.25 89.39 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.64 -29.79 70.8 Favored 'General case' 0 C--N 1.338 0.083 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.513 -171.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.38 -178.54 40.85 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.5 m -129.98 161.58 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-O 121.094 0.473 . . . . 0.0 110.769 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -150.3 73.16 1.13 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.02 -137.89 26.01 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -175.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -66.23 -14.26 61.66 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.124 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -83.03 151.62 25.74 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 118.741 0.701 . . . . 0.0 109.162 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.6 t -142.97 127.89 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.0 ttm-85 -96.3 132.69 41.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -132.85 147.21 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -170.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.13 149.87 18.72 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.3 mt -138.26 144.08 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.414 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -144.65 106.11 4.24 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.68 158.07 37.9 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.468 0.707 . . . . 0.0 109.547 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.8 151.25 86.41 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 123.05 2.5 . . . . 0.0 110.305 175.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -64.76 -7.14 9.79 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.049 -0.407 . . . . 0.0 110.661 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.75 -7.2 19.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.119 0.968 . . . . 0.0 110.928 174.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.89 169.03 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.36 155.73 30.18 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.99 -0.444 . . . . 0.0 111.23 -173.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.4 m -146.33 126.6 6.06 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -158.3 169.89 23.47 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 121.776 -0.577 . . . . 0.0 111.534 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.456 ' HA ' HD13 ' C' ' 12' ' ' ILE . 34.4 mtm180 -68.49 153.09 44.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 170.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -58.71 -28.8 66.14 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.724 0.41 . . . . 0.0 111.54 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.54 -43.24 77.09 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.55 0.34 . . . . 0.0 110.897 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -75.81 -27.63 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -176.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.9 t80 . . . . . 0 N--CA 1.453 -0.304 0 C-N-CA 123.327 0.651 . . . . 0.0 111.413 -179.01 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.7 mmm . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.851 0.358 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.88 114.27 11.65 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 168.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -114.1 143.92 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.71 0.804 . . . . 0.0 110.223 -172.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -164.84 -178.66 5.36 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.177 0.591 . . . . 0.0 110.56 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.9 p -121.11 157.32 30.38 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.345 0.593 . . . . 0.0 111.561 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.421 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.2 OUTLIER -146.61 165.3 29.92 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.029 1.732 . . . . 0.0 107.594 176.625 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -117.92 161.53 19.61 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 170.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.507 HG11 HG12 ' C' ' 25' ' ' VAL . 27.7 m -49.8 130.22 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 O-C-N 123.047 0.217 . . . . 0.0 110.972 178.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.19 6.94 59.83 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 119.482 -0.621 . . . . 0.0 113.042 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -111.84 175.34 5.47 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.106 0.953 . . . . 0.0 110.409 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -139.28 168.61 19.45 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 44' ' ' ARG . 37.4 mm -140.39 163.01 23.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 126.565 1.946 . . . . 0.0 106.428 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -132.91 153.47 51.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.559 0.618 . . . . 0.0 111.1 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.2 mt -140.11 138.89 37.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.55 -133.15 51.88 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -176.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -138.31 16.85 2.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.198 0.599 . . . . 0.0 110.224 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -141.33 6.92 1.94 Allowed 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.732 0.813 . . . . 0.0 111.75 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.17 145.66 35.05 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 CA-C-N 118.918 0.781 . . . . 0.0 110.351 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 20.2 m -139.77 155.7 47.16 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.9 mm -136.36 148.08 27.48 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.3 m -144.14 131.16 20.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -81.99 97.41 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -72.52 -28.58 62.96 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -171.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.6 177.76 42.22 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 121.748 -0.263 . . . . 0.0 112.844 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.507 HG12 HG11 ' C' ' 8' ' ' VAL . 13.8 p -142.01 139.76 30.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.454 0.701 . . . . 0.0 110.509 -178.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.5 m -151.08 118.36 5.98 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.83 -144.48 34.67 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -173.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -79.36 -4.97 53.47 Favored 'General case' 0 N--CA 1.458 -0.069 0 CA-C-N 117.359 0.579 . . . . 0.0 111.856 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -88.29 143.44 27.03 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.339 0.59 . . . . 0.0 109.679 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 34.9 t -133.93 121.28 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.574 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -87.09 127.18 35.13 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -132.63 152.55 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -172.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.09 154.86 17.2 Favored Glycine 0 C--N 1.335 0.506 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.5 mt -138.29 136.7 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -137.24 103.05 4.99 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -172.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.68 161.66 28.94 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 123.765 0.826 . . . . 0.0 109.721 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -66.82 154.7 73.63 Favored 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.113 2.542 . . . . 0.0 110.238 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -67.32 -0.2 3.37 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 122.016 -0.427 . . . . 0.0 110.395 173.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -66.57 -10.8 48.97 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.472 1.109 . . . . 0.0 110.454 173.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -137.16 169.1 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.557 1.143 . . . . 0.0 108.274 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.15 156.01 34.57 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.535 0.207 . . . . 0.0 110.955 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.3 133.99 19.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -154.06 159.91 41.76 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.388 0.613 . . . . 0.0 111.541 176.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -61.17 144.87 52.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.22 -23.94 62.73 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -172.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.23 -23.07 47.56 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.823 -0.548 . . . . 0.0 111.542 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.9 -28.75 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.194 0.598 . . . . 0.0 109.443 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 79.0 t80 . . . . . 0 N--CA 1.451 -0.398 0 C-N-CA 124.426 1.091 . . . . 0.0 111.527 -176.376 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mmm . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 119.92 -0.086 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -128.91 112.93 14.61 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.5 mp -107.06 149.84 10.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 124.392 1.077 . . . . 0.0 110.124 -171.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt -149.47 177.92 9.27 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 124.117 0.967 . . . . 0.0 111.161 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -127.35 120.03 27.59 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 167.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.421 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 9.4 mmp_? -117.19 164.0 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.082 172.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -110.8 152.99 25.99 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.1 m -56.79 116.63 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.203 0.525 . . . . 0.0 110.146 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.18 -17.71 19.17 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.805 0.717 . . . . 0.0 112.186 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -79.51 174.34 11.68 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 117.6 0.7 . . . . 0.0 111.063 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.5 m -139.02 165.47 27.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.255 0.55 . . . . 0.0 111.512 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' C' ' 44' ' ' ARG . 32.4 mm -143.29 161.09 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.966 1.706 . . . . 0.0 107.156 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -135.37 155.76 50.06 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.381 0.61 . . . . 0.0 111.354 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.3 mt -141.04 147.7 22.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 114.481 -1.236 . . . . 0.0 108.786 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.7 -136.49 47.32 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -133.16 12.32 4.24 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -146.28 11.54 1.17 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.557 0.743 . . . . 0.0 112.132 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.96 146.19 34.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 119.026 0.83 . . . . 0.0 110.681 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.8 m -139.8 155.52 47.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.161 0.985 . . . . 0.0 108.352 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -137.09 148.59 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -177.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -143.44 129.73 19.87 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -83.97 100.52 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -74.6 -26.89 60.21 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -171.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.96 -176.84 39.93 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.638 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.93 162.25 36.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 121.062 0.458 . . . . 0.0 110.866 177.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -150.97 68.78 0.95 Allowed 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.37 -135.88 22.89 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.65 -16.29 63.59 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 118.677 -0.678 . . . . 0.0 110.536 177.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.433 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 3.3 tp-100 -82.76 147.73 28.25 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 118.802 0.728 . . . . 0.0 109.301 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -141.19 121.53 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -91.56 130.35 37.39 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -134.08 155.26 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -172.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.65 156.45 20.56 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.199 -1.16 . . . . 0.0 110.199 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.2 mt -135.57 144.53 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -139.84 107.75 5.69 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.38 161.8 28.3 Favored Pre-proline 0 N--CA 1.452 -0.351 0 C-N-CA 123.651 0.78 . . . . 0.0 108.997 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.88 154.27 74.63 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.794 2.329 . . . . 0.0 110.129 174.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -68.94 0.19 4.78 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 121.971 -0.456 . . . . 0.0 109.86 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.32 -9.95 38.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.371 1.069 . . . . 0.0 110.625 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -136.1 169.55 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.513 1.125 . . . . 0.0 108.787 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.27 154.64 31.94 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.273 -0.267 . . . . 0.0 110.863 -176.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -144.86 132.95 16.99 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -156.58 160.84 39.82 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.793 0.33 . . . . 0.0 110.472 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -64.01 149.65 46.96 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 170.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -58.25 -23.68 56.85 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.79 -32.96 70.22 Favored 'General case' 0 N--CA 1.457 -0.095 0 O-C-N 121.978 -0.451 . . . . 0.0 111.114 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -90.33 -34.63 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 C-N-CA 122.723 0.409 . . . . 0.0 109.958 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 . . . . . 0 C--N 1.332 -0.185 0 C-N-CA 123.858 0.863 . . . . 0.0 111.874 -176.483 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.505 ' HG2' HD11 ' C' ' 3' ' ' ILE . 13.7 tpp . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 120.439 0.161 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.2 tm? -126.83 106.77 9.57 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 171.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.505 HD11 ' HG2' ' C' ' 1' ' ' MET . 5.0 mp -100.6 142.28 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 124.114 0.966 . . . . 0.0 110.428 -175.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.59 170.05 20.52 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.19 0.596 . . . . 0.0 110.706 175.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -105.59 157.99 17.01 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.266 0.555 . . . . 0.0 111.838 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.404 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 3.0 tpm_? -147.95 164.17 34.57 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.724 1.21 . . . . 0.0 108.004 174.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.433 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 39.1 mtmt -121.87 161.31 23.0 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 118.504 0.593 . . . . 0.0 110.196 174.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.521 HG11 HG12 ' C' ' 25' ' ' VAL . 35.0 m -51.94 133.29 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.335 -176.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.23 4.98 66.03 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 119.414 -0.659 . . . . 0.0 113.301 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -114.12 -177.86 3.23 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.432 1.116 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 20.0 m -139.16 171.56 14.12 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -171.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.401 HG22 ' N ' ' C' ' 13' ' ' ASN . 62.8 mt -144.43 166.56 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 126.635 1.974 . . . . 0.0 106.827 -179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . 0.401 ' N ' HG22 ' C' ' 12' ' ' ILE . 22.1 m120 -140.67 153.12 45.86 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.722 0.692 . . . . 0.0 112.452 -176.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -148.12 149.29 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.23 1.012 . . . . 0.0 110.093 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.69 14.72 5.42 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.652 1.12 . . . . 0.0 115.354 170.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 55.1 11.77 0.56 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -143.13 8.91 1.66 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.615 0.766 . . . . 0.0 110.543 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.37 148.63 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.1 m -136.92 149.61 47.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.1 mm -130.29 148.96 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -140.37 149.6 42.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -175.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -111.53 84.78 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.61 -23.5 67.28 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.154 -170.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.26 179.23 41.64 Favored Glycine 0 C--N 1.335 0.498 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.521 HG12 HG11 ' C' ' 8' ' ' VAL . 11.6 p -132.38 144.97 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -147.2 66.58 1.14 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.1 0.96 . . . . 0.0 108.585 -174.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.18 -138.44 26.63 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.95 -10.05 35.56 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.162 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -102.2 148.09 25.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 119.235 0.925 . . . . 0.0 109.37 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.8 t -138.99 128.86 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -175.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -90.4 126.43 35.88 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -128.73 152.26 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.545 -169.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.94 153.46 16.78 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -139.97 140.85 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -144.4 104.6 4.1 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.37 159.68 41.26 Favored Pre-proline 0 N--CA 1.453 -0.315 0 C-N-CA 124.118 0.967 . . . . 0.0 109.222 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -63.83 150.25 88.85 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 122.553 2.169 . . . . 0.0 110.131 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -68.7 -1.12 6.23 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.243 -0.285 . . . . 0.0 110.343 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -67.74 -8.13 32.97 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.018 0.927 . . . . 0.0 110.914 171.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -135.55 169.3 21.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 176.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.52 160.25 27.39 Favored 'General case' 0 N--CA 1.457 -0.083 0 O-C-N 122.045 -0.41 . . . . 0.0 111.133 -173.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 m -144.02 134.39 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -157.15 168.24 28.01 Favored 'General case' 0 N--CA 1.46 0.061 0 CA-C-N 117.836 0.289 . . . . 0.0 110.437 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.472 ' HA ' HD13 ' A' ' 12' ' ' ILE . 77.3 ttt180 -67.02 154.4 41.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 172.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -56.54 -23.97 43.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.271 0.628 . . . . 0.0 111.994 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.26 -47.45 23.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.635 0.255 . . . . 0.0 110.753 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 mm -71.02 -30.59 41.97 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.073 0 O-C-N 122.016 -0.428 . . . . 0.0 109.968 -176.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 83.1 t80 . . . . . 0 N--CA 1.452 -0.366 0 C-N-CA 124.17 0.988 . . . . 0.0 112.008 -176.575 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.559 ' HG2' HD11 ' A' ' 3' ' ' ILE . 16.0 tpp . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.189 0.042 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.1 tm? -127.41 104.92 8.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 171.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.559 HD11 ' HG2' ' A' ' 1' ' ' MET . 4.7 mp -96.35 151.15 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.465 1.106 . . . . 0.0 110.172 -174.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.2 mt -149.82 175.34 11.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.065 0.946 . . . . 0.0 111.612 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -127.35 122.02 32.57 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 168.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -122.31 140.99 52.0 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -84.98 151.82 23.92 Favored 'General case' 0 CA--C 1.522 -0.104 0 C-N-CA 122.84 0.456 . . . . 0.0 110.142 176.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.665 HG11 HG12 ' A' ' 25' ' ' VAL . 14.1 m -56.55 125.72 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.82 3.7 45.85 Favored Glycine 0 CA--C 1.531 1.054 0 CA-C-O 119.46 -0.633 . . . . 0.0 113.351 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -116.12 -176.51 2.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.364 1.082 . . . . 0.0 110.985 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.9 m -138.76 170.66 15.59 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -172.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.0 mm -144.02 166.63 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.92 2.088 . . . . 0.0 106.955 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -135.49 153.8 51.62 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 119.071 0.851 . . . . 0.0 112.062 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -140.34 143.38 29.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.295 1.038 . . . . 0.0 108.718 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.95 -137.29 44.24 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -175.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -135.12 15.68 3.51 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -142.73 9.34 1.76 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.493 0.717 . . . . 0.0 111.535 -177.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.52 147.39 32.69 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 CA-C-N 118.628 0.649 . . . . 0.0 109.914 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -139.29 155.24 47.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.9 mm -133.3 148.89 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 m -141.72 149.12 40.09 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.98 84.91 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.668 1.187 . . . . 0.0 107.841 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.75 -24.46 67.57 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 -169.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.94 -174.41 44.1 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 120.336 -0.935 . . . . 0.0 113.267 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.665 HG12 HG11 ' A' ' 8' ' ' VAL . 9.6 p -147.19 137.26 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.489 0.716 . . . . 0.0 110.173 -174.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.7 m -151.65 110.64 3.88 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 124.095 0.958 . . . . 0.0 108.562 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.18 -142.2 36.21 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -173.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.414 HE21 HG21 ' C' ' 8' ' ' VAL . 11.6 mm100 -72.44 -12.93 61.31 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.103 0.952 . . . . 0.0 110.905 175.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.56 153.78 38.89 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.452 0.644 . . . . 0.0 110.088 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -149.22 117.68 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -84.42 133.95 34.48 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -132.78 155.01 40.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -170.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.41 149.82 18.38 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' C' ' 1' ' ' MET . 72.9 mt -137.86 144.18 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -144.29 104.31 4.08 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -174.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.29 160.75 30.56 Favored Pre-proline 0 N--CA 1.451 -0.402 0 C-N-CA 123.604 0.762 . . . . 0.0 109.834 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -66.57 157.03 62.75 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.392 2.728 . . . . 0.0 110.398 174.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -67.95 -0.13 4.06 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.014 0.435 . . . . 0.0 110.404 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.52 -9.2 32.37 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.269 1.028 . . . . 0.0 110.205 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -137.88 169.29 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.03 156.37 36.63 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 122.11 -0.369 . . . . 0.0 110.756 -174.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.76 129.12 10.48 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -155.37 160.78 40.97 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 122.142 -0.348 . . . . 0.0 111.155 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.6 tpt85 -57.43 145.31 33.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 171.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -58.22 -32.0 67.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.063 0.392 . . . . 0.0 111.658 -176.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -71.93 -38.77 69.8 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.256 -0.277 . . . . 0.0 110.748 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.47 -31.73 43.93 Favored 'Isoleucine or valine' 0 C--O 1.23 0.079 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.6 t80 . . . . . 0 N--CA 1.451 -0.381 0 C-N-CA 123.232 0.613 . . . . 0.0 111.045 -178.899 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.405 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.34 118.12 16.14 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -110.53 149.32 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.368 0.667 . . . . 0.0 109.541 -171.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -150.65 177.98 9.53 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 123.258 0.623 . . . . 0.0 111.518 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.68 125.44 33.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 167.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.579 HH21 HG22 ' C' ' 22' ' ' ILE . 4.6 ttp180 -131.94 174.76 9.83 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.52 171.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -140.99 167.0 23.24 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.961 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.414 HG21 HE21 ' A' ' 28' ' ' GLN . 7.9 m -51.9 135.83 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 O-C-N 123.82 0.7 . . . . 0.0 112.464 -168.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.24 -5.2 74.83 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.351 -0.694 . . . . 0.0 113.701 176.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -96.91 177.36 5.65 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.387 1.093 . . . . 0.0 111.533 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -143.5 166.61 24.33 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 17.0 mt -143.16 162.83 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 126.261 1.824 . . . . 0.0 108.37 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -127.26 149.34 50.05 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.045 0.384 . . . . 0.0 110.712 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -145.14 144.59 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 123.236 0.615 . . . . 0.0 110.413 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.4 12.95 6.68 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 124.177 0.894 . . . . 0.0 114.513 172.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t70 55.62 12.72 0.85 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.294 1.038 . . . . 0.0 113.39 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -142.18 6.71 1.75 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.388 0.675 . . . . 0.0 110.619 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.5 148.45 30.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -138.54 153.22 48.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -132.65 144.07 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -176.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -135.73 148.0 48.67 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.579 HG22 HH21 ' C' ' 6' ' ' ARG . 1.6 tp -106.18 89.59 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 -178.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.1 -23.48 65.84 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.241 -167.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.77 179.43 36.43 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.939 -0.465 . . . . 0.0 111.939 175.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -121.71 162.8 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-O 121.371 0.605 . . . . 0.0 110.652 175.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -151.53 59.93 0.88 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.501 1.12 . . . . 0.0 108.067 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.42 -134.55 19.6 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.52 -11.1 40.55 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.077 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -100.25 147.62 25.55 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.068 0.849 . . . . 0.0 109.123 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -137.33 130.65 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -94.36 126.85 39.87 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -133.16 154.72 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -171.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.1 154.99 20.53 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.8 mt -136.7 144.98 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -141.57 109.74 5.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.2 160.63 31.64 Favored Pre-proline 0 N--CA 1.454 -0.245 0 C-N-CA 123.604 0.762 . . . . 0.0 109.537 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.05 154.38 74.75 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.115 2.543 . . . . 0.0 110.521 173.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.57 -0.55 3.96 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-O 120.887 0.375 . . . . 0.0 110.623 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.49 -11.7 53.76 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.378 1.071 . . . . 0.0 110.119 173.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.69 169.47 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.682 1.193 . . . . 0.0 108.36 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.21 160.68 23.34 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 122.317 -0.24 . . . . 0.0 111.537 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -147.83 132.61 10.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 176.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -152.83 164.08 38.52 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-O 120.917 0.389 . . . . 0.0 111.225 176.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -62.48 148.38 45.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 170.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -60.29 -31.88 70.67 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.027 0.376 . . . . 0.0 110.737 -176.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.09 -42.56 80.17 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.09 0.556 . . . . 0.0 110.413 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.36 -38.2 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 C-N-CA 122.868 0.467 . . . . 0.0 109.9 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.2 t80 . . . . . 0 N--CA 1.453 -0.304 0 C-N-CA 124.11 0.964 . . . . 0.0 111.715 -175.48 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 mmm . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 120.985 0.422 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -135.49 114.26 11.93 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 168.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.95 141.88 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.469 0.708 . . . . 0.0 110.008 -173.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -162.37 178.86 8.29 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.011 0.524 . . . . 0.0 110.802 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -115.07 157.56 23.35 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.292 0.568 . . . . 0.0 110.468 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.449 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.1 tpm_? -148.4 164.54 33.8 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -124.39 159.49 30.28 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.4 m -57.36 141.14 14.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.543 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.05 -9.18 78.47 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.363 0.506 . . . . 0.0 112.926 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -90.1 -176.13 4.77 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 118.035 0.918 . . . . 0.0 111.02 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -140.75 171.32 14.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.322 0.582 . . . . 0.0 112.065 -174.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mt -154.22 164.14 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.962 2.105 . . . . 0.0 107.184 -171.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -143.54 156.56 44.64 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.59 -0.694 . . . . 0.0 112.215 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -140.91 148.04 22.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 124.134 0.974 . . . . 0.0 108.6 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.24 -139.4 34.15 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -130.74 11.79 5.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.256 0.622 . . . . 0.0 109.96 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -144.07 11.81 1.58 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.516 0.726 . . . . 0.0 111.204 -177.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.66 147.16 33.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.727 0.694 . . . . 0.0 110.403 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.3 m -137.58 153.55 49.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.391 1.076 . . . . 0.0 108.153 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.9 mm -136.89 148.13 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -138.87 148.44 43.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -107.96 86.73 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.29 -24.35 66.54 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.624 -169.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.14 -175.81 38.59 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 118.369 0.531 . . . . 0.0 112.732 175.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.8 m -131.85 165.99 30.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.229 0.538 . . . . 0.0 111.118 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.0 m -151.04 64.37 0.91 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.796 1.239 . . . . 0.0 107.797 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.8 -113.48 3.74 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -81.51 -19.19 42.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.485 ' HG2' ' HE3' ' C' ' 7' ' ' LYS . 9.5 mm-40 -80.08 152.7 29.19 Favored 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 123.707 0.629 . . . . 0.0 110.237 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.2 t -145.81 119.49 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -89.33 128.14 35.86 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -128.3 154.94 39.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -171.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.15 154.35 20.52 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.934 -1.267 . . . . 0.0 109.934 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.3 mt -139.37 144.46 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -177.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -142.9 107.98 4.95 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.92 160.98 30.75 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 123.986 0.915 . . . . 0.0 108.881 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.69 153.84 75.5 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.687 2.258 . . . . 0.0 110.061 174.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -71.78 -0.88 12.18 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.914 -0.491 . . . . 0.0 110.48 176.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -68.66 -6.76 27.83 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.998 0.919 . . . . 0.0 110.35 171.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -135.94 167.49 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.8 158.8 32.48 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.315 -0.241 . . . . 0.0 110.96 -174.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.0 m -144.91 129.84 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -177.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -157.68 160.99 38.55 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.871 -0.518 . . . . 0.0 110.12 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -63.62 156.83 25.52 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.41 -24.05 66.25 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -71.88 -51.81 20.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.766 -0.584 . . . . 0.0 109.876 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.85 -28.97 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 122.868 0.467 . . . . 0.0 109.951 -176.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.7 t80 . . . . . 0 N--CA 1.45 -0.453 0 C-N-CA 122.884 0.473 . . . . 0.0 111.07 -179.75 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.46 ' HG2' HD11 ' C' ' 3' ' ' ILE . 1.7 ttp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.697 0.284 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.1 tm? -116.1 119.8 37.01 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 176.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.46 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.5 mp -115.32 142.2 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.046 0.938 . . . . 0.0 109.8 -173.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -161.1 169.65 21.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.192 174.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.2 p -98.31 153.36 18.59 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.384 0.611 . . . . 0.0 110.009 177.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.644 HH22 ' HB ' ' C' ' 22' ' ' ILE . 7.4 mmm-85 -147.29 155.95 42.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.268 1.427 . . . . 0.0 107.551 178.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.485 ' HE3' ' HG2' ' A' ' 29' ' ' GLN . 59.9 mttp -123.01 162.62 22.0 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.385 0.612 . . . . 0.0 111.399 175.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.683 HG11 HG12 ' C' ' 25' ' ' VAL . 15.5 m -51.16 114.53 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 114.611 -1.177 . . . . 0.0 112.05 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . 0.544 ' H ' HG22 ' C' ' 22' ' ' ILE . . . 111.52 -24.11 16.28 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.349 0.5 . . . . 0.0 113.376 173.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . 0.56 ' HB2' HH21 ' C' ' 6' ' ' ARG . 92.5 mt-10 -73.43 -175.75 2.05 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 117.542 0.671 . . . . 0.0 110.806 177.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -143.98 176.09 9.54 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -174.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.554 ' CG1' HH11 ' C' ' 6' ' ' ARG . 4.9 mt -149.62 169.84 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 126.149 1.78 . . . . 0.0 107.889 -176.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . 0.405 ' H ' HG22 ' C' ' 12' ' ' ILE . 23.8 m120 -142.98 151.34 40.78 Favored 'General case' 0 C--N 1.337 0.048 0 C-N-CA 123.138 0.575 . . . . 0.0 110.595 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -147.78 146.02 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.177 0.591 . . . . 0.0 109.954 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.75 14.82 7.91 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.989 0.804 . . . . 0.0 114.864 171.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 56.75 10.92 0.8 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -139.29 7.22 2.38 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.57 0.623 . . . . 0.0 110.474 175.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.23 146.74 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 62.2 m -135.09 146.93 49.36 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -131.33 148.91 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.0 m -140.75 149.34 41.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.644 ' HB ' HH22 ' C' ' 6' ' ' ARG . 0.4 OUTLIER -112.28 118.67 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -92.06 -22.09 20.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.242 -168.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.64 -175.35 39.86 Favored Glycine 0 C--N 1.337 0.634 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.669 172.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.683 HG12 HG11 ' C' ' 8' ' ' VAL . 11.5 p -140.84 139.84 33.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 122.955 0.502 . . . . 0.0 110.904 -175.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.2 m -151.3 113.98 4.66 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.92 -142.65 34.49 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -172.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -78.69 -6.38 55.61 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 117.812 0.806 . . . . 0.0 111.733 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.49 151.87 32.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -146.78 119.64 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -176.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -89.05 136.06 33.22 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -135.65 152.59 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.148 0.579 . . . . 0.0 109.833 -170.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.23 148.97 17.4 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.051 -1.619 . . . . 0.0 109.051 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.4 mt -138.81 144.4 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -144.35 104.46 4.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.6 158.89 39.64 Favored Pre-proline 0 C--O 1.233 0.234 0 C-N-CA 123.717 0.807 . . . . 0.0 109.655 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.0 153.68 77.12 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.008 2.472 . . . . 0.0 110.686 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -70.17 -1.58 10.59 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.947 -0.471 . . . . 0.0 110.851 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -68.58 -8.57 42.9 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.945 0.898 . . . . 0.0 110.436 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -137.72 169.22 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 176.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.7 159.88 24.44 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.821 -0.55 . . . . 0.0 111.104 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.0 m -146.03 130.24 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -158.78 163.2 36.95 Favored 'General case' 0 CA--C 1.522 -0.098 0 O-C-N 122.125 -0.359 . . . . 0.0 110.575 175.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -65.72 158.1 28.39 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 168.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.54 -23.64 58.77 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -174.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -66.29 -48.07 71.57 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.149 -0.344 . . . . 0.0 111.069 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.4 mm -79.87 -26.81 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -174.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 t80 . . . . . 0 N--CA 1.452 -0.36 0 C-N-CA 122.739 0.416 . . . . 0.0 111.341 -179.314 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 mmm . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 120.707 0.289 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -135.6 114.18 11.77 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 167.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -105.9 150.5 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.524 0.73 . . . . 0.0 110.02 -172.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.93 163.75 39.2 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.882 0.873 . . . . 0.0 109.524 -171.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.82 145.04 50.4 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.448 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 6.0 mmp_? -145.73 150.41 36.2 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 123.387 0.675 . . . . 0.0 109.551 177.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -89.53 157.22 18.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.653 HG11 HG12 ' A' ' 25' ' ' VAL . 11.8 m -54.13 114.1 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.547 177.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.96 -14.23 24.02 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.595 -0.558 . . . . 0.0 112.852 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -83.15 177.31 8.63 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.192 0.996 . . . . 0.0 111.177 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 m -135.78 167.31 21.41 Favored 'General case' 0 C--N 1.342 0.239 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -171.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -145.28 160.84 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 126.582 1.953 . . . . 0.0 107.139 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -133.99 154.99 50.75 Favored 'General case' 0 C--O 1.23 0.031 0 CA-C-N 118.944 0.793 . . . . 0.0 111.798 -176.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.1 mt -141.24 142.03 29.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.158 -178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.97 -135.51 43.08 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -135.57 15.07 3.42 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.249 0.62 . . . . 0.0 109.74 176.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -143.17 8.45 1.63 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.972 0.509 . . . . 0.0 111.545 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -132.22 147.84 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 118.713 0.688 . . . . 0.0 110.673 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.2 m -139.43 155.51 47.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -134.93 149.07 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -143.26 155.4 44.49 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -119.15 88.57 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 178.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.0 mt -64.64 -23.5 67.28 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -167.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.52 -177.45 43.67 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 118.787 0.722 . . . . 0.0 112.279 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.653 HG12 HG11 ' A' ' 8' ' ' VAL . 13.8 p -137.43 145.64 29.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 C-N-CA 123.28 0.632 . . . . 0.0 109.672 -174.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -149.88 67.21 0.99 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.943 0.897 . . . . 0.0 108.832 -176.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.63 -136.22 22.94 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -65.72 -17.19 64.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.7 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -88.68 150.17 23.13 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 118.728 0.694 . . . . 0.0 109.458 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.8 t -143.23 129.34 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -89.86 131.09 35.97 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mt -129.83 155.15 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -170.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 150.8 18.02 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 -178.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.5 mt -140.03 143.08 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -144.18 105.85 4.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.852 0.358 . . . . 0.0 110.396 -175.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.02 159.58 33.48 Favored Pre-proline 0 N--CA 1.455 -0.215 0 C-N-CA 123.611 0.764 . . . . 0.0 109.2 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.01 153.29 78.7 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.953 2.435 . . . . 0.0 110.686 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -64.13 -0.8 1.29 Allowed 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.25 -0.281 . . . . 0.0 110.78 173.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.62 -9.95 40.88 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.366 1.066 . . . . 0.0 110.311 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -137.8 169.05 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 124.342 1.057 . . . . 0.0 108.301 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.49 157.22 29.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.96 -0.463 . . . . 0.0 111.369 -175.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.8 m -146.95 135.76 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -152.59 163.82 38.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -59.44 141.9 53.61 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 169.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -59.78 -23.56 63.37 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.245 0.475 . . . . 0.0 111.943 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.11 -21.49 43.2 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.657 0.383 . . . . 0.0 110.757 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.77 -32.76 5.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 124.047 0.939 . . . . 0.0 109.739 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.7 t80 . . . . . 0 N--CA 1.451 -0.403 0 C-N-CA 123.29 0.636 . . . . 0.0 111.477 -176.07 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmm . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 119.858 -0.115 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -130.93 112.51 13.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.4 ' N ' HD12 ' C' ' 3' ' ' ILE . 4.4 mp -106.81 148.51 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.249 1.019 . . . . 0.0 108.967 -171.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -149.63 179.16 8.21 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.407 0.683 . . . . 0.0 110.828 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -133.13 124.88 28.33 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 167.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.6 OUTLIER -124.74 164.64 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.248 1.019 . . . . 0.0 108.501 171.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -110.92 157.32 20.01 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.751 0.31 . . . . 0.0 110.698 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.59 HG11 HG12 ' C' ' 25' ' ' VAL . 17.0 m -53.2 114.56 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.026 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.88 -16.23 16.07 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 123.983 0.802 . . . . 0.0 111.943 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -84.63 179.14 7.44 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.791 0.795 . . . . 0.0 111.2 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -141.26 170.08 16.4 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.346 0.593 . . . . 0.0 112.277 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mm -144.65 164.67 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 126.843 2.057 . . . . 0.0 107.009 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -139.43 154.71 47.83 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.542 0.61 . . . . 0.0 111.889 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -139.82 144.38 28.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 124.192 0.997 . . . . 0.0 108.962 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.35 -135.46 44.56 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -136.75 17.22 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.221 0.609 . . . . 0.0 110.034 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -142.44 8.59 1.79 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.295 0.638 . . . . 0.0 111.493 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.13 147.13 33.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.198 0 CA-C-N 118.723 0.692 . . . . 0.0 110.412 -178.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -138.58 153.17 48.66 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.92 0.888 . . . . 0.0 108.61 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -134.6 149.23 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.8 m -143.21 151.89 41.13 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -110.37 87.82 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.36 -26.39 67.25 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -168.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.18 -173.57 44.77 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.706 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.59 HG12 HG11 ' C' ' 8' ' ' VAL . 6.6 p -140.73 144.58 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.352 0.661 . . . . 0.0 109.382 -175.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -151.09 75.37 1.19 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.88 -142.02 34.04 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -67.06 -7.14 20.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 118.636 -0.697 . . . . 0.0 110.956 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -101.15 150.12 23.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 119.087 0.858 . . . . 0.0 109.328 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -136.54 140.39 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -104.11 132.1 50.71 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -130.04 151.94 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -169.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.79 150.24 17.08 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -177.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -138.74 144.2 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -144.74 106.03 4.22 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.53 158.9 35.45 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.749 0.82 . . . . 0.0 109.802 -177.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.83 154.07 75.49 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.833 2.355 . . . . 0.0 110.392 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -70.62 -0.7 9.21 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.12 -0.363 . . . . 0.0 110.592 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.77 -7.07 36.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.798 0.839 . . . . 0.0 110.618 172.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -136.7 169.24 20.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.923 0.889 . . . . 0.0 108.819 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.25 156.59 29.66 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -173.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 m -148.02 134.11 12.22 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -159.67 166.01 31.47 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.59 0.709 . . . . 0.0 111.727 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -58.89 148.04 31.68 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 168.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -56.64 -31.66 64.57 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 122.229 -0.294 . . . . 0.0 111.719 -174.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.29 -35.91 47.3 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.952 -0.467 . . . . 0.0 111.261 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -72.88 -34.52 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 34.9 t80 . . . . . 0 N--CA 1.453 -0.307 0 C-N-CA 123.749 0.819 . . . . 0.0 111.628 -179.644 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.598 ' HG2' HD11 ' A' ' 3' ' ' ILE . 7.2 tpp . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 120.398 0.142 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.2 tm? -126.57 111.18 14.06 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 171.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.598 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.1 mp -106.13 143.29 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.02 0.928 . . . . 0.0 110.362 -175.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -161.41 173.21 15.24 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.116 0.566 . . . . 0.0 110.919 173.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -109.91 155.15 22.09 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.158 0.504 . . . . 0.0 110.989 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -145.34 166.89 24.26 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.83 1.252 . . . . 0.0 109.304 176.23 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -115.51 153.57 30.91 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -57.74 127.49 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.77 7.2 53.68 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.617 -0.546 . . . . 0.0 112.791 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -118.3 178.62 4.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.056 0.928 . . . . 0.0 110.939 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.4 m -139.74 170.45 15.87 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -170.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' C' ' 44' ' ' ARG . 37.9 mm -141.15 163.6 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 127.059 2.144 . . . . 0.0 107.15 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -134.75 151.65 51.14 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.8 0.727 . . . . 0.0 111.27 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -145.95 144.38 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.565 0.746 . . . . 0.0 110.257 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.39 12.82 9.36 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.193 0.901 . . . . 0.0 114.627 171.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 57.13 10.51 0.84 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.245 1.018 . . . . 0.0 113.608 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -141.27 7.67 1.99 Allowed 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.559 0.744 . . . . 0.0 110.843 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.39 145.3 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -138.84 152.63 48.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -132.34 144.8 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -139.18 120.82 15.22 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.432 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.6 tp -75.43 99.85 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 174.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.7 mt -73.83 -27.47 61.12 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 122.172 -0.33 . . . . 0.0 111.78 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.04 -179.09 39.16 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 m -120.2 163.33 17.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-O 121.193 0.52 . . . . 0.0 111.016 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -151.44 60.07 0.89 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.63 -133.76 16.37 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -177.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.58 -18.01 65.0 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.422 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -87.73 148.57 24.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.1 t -140.01 125.39 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -88.35 130.18 35.21 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -137.69 154.59 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -172.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.61 157.99 19.82 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.7 mt -138.1 144.66 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -139.78 111.52 7.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.71 158.34 34.15 Favored Pre-proline 0 N--CA 1.45 -0.439 0 C-N-CA 123.502 0.721 . . . . 0.0 109.626 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.95 152.7 81.42 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.913 2.409 . . . . 0.0 110.38 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -69.99 -0.81 8.13 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 122.093 -0.379 . . . . 0.0 110.733 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -68.08 -8.76 40.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.448 0.699 . . . . 0.0 110.297 171.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.18 169.09 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.295 1.038 . . . . 0.0 108.223 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.36 160.4 30.54 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.59 0.233 . . . . 0.0 111.401 -174.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -143.54 131.36 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -156.18 162.31 40.21 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.505 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 27.7 ttt85 -59.39 150.75 25.48 Favored 'General case' 0 CA--C 1.527 0.064 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 169.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -60.9 -24.35 65.92 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -172.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.505 ' H ' ' HG2' ' A' ' 44' ' ' ARG . 76.0 mm-40 -74.37 -46.92 37.39 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.945 -0.472 . . . . 0.0 110.56 175.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -64.4 -27.89 43.66 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 73.2 t80 -65.19 -38.54 90.81 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.462 0.705 . . . . 0.0 110.686 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -69.63 -18.77 63.62 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.997 -0.44 . . . . 0.0 111.493 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.22 -9.48 59.72 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 122.947 0.499 . . . . 0.0 110.208 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.6 mt -110.52 -43.73 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 122.634 0.374 . . . . 0.0 110.309 -175.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 62.7 mm-40 -69.61 -0.61 7.07 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.84 -16.17 63.58 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.27 14.18 0.06 OUTLIER Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.071 -0.849 . . . . 0.0 114.265 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -151.79 -178.93 7.02 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 118.656 1.228 . . . . 0.0 112.298 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.7 m -147.38 9.22 0.94 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.181 0.593 . . . . 0.0 110.128 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.44 76.68 10.89 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 123.125 0.57 . . . . 0.0 110.488 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -52.42 176.69 0.06 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 125.057 3.838 . . . . 0.0 114.189 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 C--O 1.234 0.266 0 C-N-CA 124.177 0.991 . . . . 0.0 112.061 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.73 -2.97 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C4'-C3'-C2' 99.211 -3.489 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.256 -3.444 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 O4'-C1'-N19 111.657 3.457 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 98.728 -3.972 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C4'-C3'-C2' 99.733 -2.967 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 100.018 -2.682 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.715 -2.985 . 0.623 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . 0.403 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O4'-C1'-N19 111.223 3.023 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . 0.403 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.457 -3.243 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 O4'-C1'-N19 111.503 3.303 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C5'-C4'-C3' 110.85 -3.1 . 0.352 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . 0.401 ' C6 ' ' CE ' ' A' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.419 -2.858 1 C5'-C4'-C3' 105.456 -6.696 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . 0.422 " H5'" HD13 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.422 -2.591 1 P-O3'-C3' 125.577 4.898 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.358 -3.342 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 98.711 -3.989 . 0.673 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 C4'-C3'-C2' 99.228 -3.472 . 0.544 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C4'-C3'-C2' 99.754 -2.946 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 C4'-C3'-C2' 99.709 -2.991 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C4'-C3'-C2' 99.608 -3.092 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.989 -2.711 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.572 ' HG2' HD11 ' C' ' 3' ' ' ILE . 11.1 tpp . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 120.273 0.082 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' C' ' 1' ' ' MET . 2.2 tm? -126.95 108.69 11.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 170.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.572 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.6 mp -97.9 150.95 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 123.959 0.903 . . . . 0.0 109.651 -174.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 82.8 mt -151.48 179.84 8.01 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.142 0.977 . . . . 0.0 111.183 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.3 p -131.8 128.81 39.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 166.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.4 ' HA ' ' CZ ' ' C' ' 6' ' ' ARG . 1.5 tpm_? -131.18 138.71 49.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 173.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -86.77 155.29 20.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.928 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.647 HG11 HG12 ' C' ' 25' ' ' VAL . 18.0 m -54.32 127.15 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.515 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.9 1.45 45.65 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-O 119.44 -0.645 . . . . 0.0 113.074 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -114.56 179.62 3.9 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.73 1.265 . . . . 0.0 111.14 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.5 m -134.44 171.68 13.97 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -171.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mt -147.8 167.66 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 126.262 1.825 . . . . 0.0 106.493 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -136.92 154.15 50.54 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.507 0.594 . . . . 0.0 111.229 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.0 mt -142.05 142.24 28.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 C-N-CA 123.953 0.901 . . . . 0.0 109.127 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.5 -133.32 52.73 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -136.54 11.79 3.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.247 0.619 . . . . 0.0 109.873 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -144.37 10.21 1.45 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.176 0.591 . . . . 0.0 111.966 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.04 145.95 34.86 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 118.818 0.735 . . . . 0.0 110.239 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -137.68 154.55 49.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.4 mm -136.2 148.38 27.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -176.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -141.88 130.1 22.22 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.951 0.405 . . . . 0.0 110.006 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.418 HG22 ' H ' ' C' ' 22' ' ' ILE . 1.7 tp -84.9 87.78 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.71 -28.27 68.94 Favored 'General case' 0 C--N 1.338 0.087 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -168.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.1 -176.26 46.54 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.906 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.647 HG12 HG11 ' C' ' 8' ' ' VAL . 7.3 p -140.64 145.07 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.515 0.726 . . . . 0.0 109.433 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -147.82 60.2 1.13 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.612 1.165 . . . . 0.0 108.726 -175.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.03 -133.92 17.64 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.72 -10.11 33.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.906 -0.568 . . . . 0.0 111.206 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -102.13 148.61 25.19 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 118.567 0.621 . . . . 0.0 109.528 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.3 t -138.25 147.07 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -115.36 130.27 56.84 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.88 153.75 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -169.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.05 155.85 20.47 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 1' ' ' MET . 68.9 mt -137.96 144.56 30.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.7 t-20 -139.83 109.06 6.1 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -178.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.32 160.66 30.68 Favored Pre-proline 0 N--CA 1.451 -0.387 0 C-N-CA 124.151 0.98 . . . . 0.0 109.086 -176.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.22 151.89 83.96 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.819 2.346 . . . . 0.0 110.221 174.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -69.42 -0.76 6.91 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.809 -0.557 . . . . 0.0 110.653 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.92 -5.38 25.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.02 0.928 . . . . 0.0 110.883 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 m -134.78 169.69 20.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.85 156.02 34.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.953 -0.467 . . . . 0.0 111.095 -174.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 m -146.05 131.93 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -157.64 169.78 23.88 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 118.061 0.392 . . . . 0.0 111.466 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.471 ' HA ' HD13 ' A' ' 12' ' ' ILE . 44.3 mtp-105 -64.65 150.64 46.69 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 170.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -61.39 -26.83 68.1 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.103 -0.373 . . . . 0.0 110.629 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -72.74 -43.88 62.37 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.822 0.449 . . . . 0.0 110.375 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -69.98 -31.2 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.455 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 79.9 t80 -59.42 -38.21 80.04 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.256 0.622 . . . . 0.0 111.827 -176.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -68.34 -17.52 64.27 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.981 -0.449 . . . . 0.0 112.008 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -86.12 -9.02 57.41 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 122.69 0.396 . . . . 0.0 110.425 176.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 89.0 mt -111.03 -33.06 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.097 0.559 . . . . 0.0 110.967 -173.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.455 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 68.2 mm-40 -81.88 2.85 28.53 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 122.208 -0.308 . . . . 0.0 111.078 176.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.42 -18.35 64.64 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.85 21.86 0.1 Allowed Glycine 0 C--N 1.341 0.835 0 CA-C-O 118.742 -1.032 . . . . 0.0 114.527 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.04 -26.9 0.44 Allowed 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m 35.99 39.6 0.08 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.273 1.029 . . . . 0.0 112.882 -172.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.49 83.33 7.7 Favored Pre-proline 0 N--CA 1.455 -0.224 0 C-N-CA 123.507 0.723 . . . . 0.0 109.754 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.36 171.98 0.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 124.72 3.613 . . . . 0.0 114.436 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 CA--C 1.532 0.267 0 CA-C-N 115.276 -0.874 . . . . 0.0 112.057 179.568 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C5'-C4'-C3' 111.14 -2.906 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.368 -3.332 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.338 -3.362 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.907 0 O4'-C1'-N19 111.444 3.244 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.067 -3.633 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 C4'-C3'-C2' 99.381 -3.319 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.736 -2.964 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 0 C4'-C3'-C2' 99.352 -3.348 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.507 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.263 3.063 . 0.285 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . 0.507 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 C4'-C3'-C2' 100.043 -2.657 . 0.017 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 N19-C1'-C2' 108.612 -2.993 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-C3' 110.897 -3.069 . 0.133 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 1 C5'-C4'-C3' 105.506 -6.663 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . 0.465 " H5'" HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.952 1 P-O3'-C3' 125.585 4.904 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C4'-C3'-C2' 98.93 -3.77 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.391 0 C4'-C3'-C2' 98.73 -3.97 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 C4'-C3'-C2' 99.023 -3.677 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.752 -2.948 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.694 -3.006 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.276 -3.424 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.847 -2.853 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 mmm . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.942 0.401 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.26 108.18 7.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 169.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -98.56 150.58 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.515 0.726 . . . . 0.0 109.441 -173.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.44 HD13 ' H ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -154.81 164.52 38.7 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.01 0.924 . . . . 0.0 109.231 -172.034 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.44 ' H ' HD13 ' A' ' 4' ' ' LEU . 1.3 p -125.92 152.58 45.42 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 170.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -148.98 162.64 39.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -115.97 162.16 17.78 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 118.169 0.44 . . . . 0.0 110.23 173.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -57.32 131.96 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.986 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.41 6.79 58.49 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.442 -0.643 . . . . 0.0 112.999 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -118.62 178.59 4.41 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 118.227 1.014 . . . . 0.0 110.315 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -137.25 170.16 16.57 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -169.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mt -143.62 166.05 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 126.898 2.079 . . . . 0.0 106.871 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -138.12 155.0 49.18 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.696 0.68 . . . . 0.0 112.083 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -139.79 147.46 23.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 124.296 1.038 . . . . 0.0 108.569 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.1 -138.3 39.35 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -133.7 15.85 3.97 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.147 0.579 . . . . 0.0 109.932 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -143.55 10.41 1.63 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.845 0.858 . . . . 0.0 111.989 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.24 147.74 32.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 119.067 0.848 . . . . 0.0 111.084 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -139.07 154.89 48.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.28 1.032 . . . . 0.0 108.583 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -136.8 143.24 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -139.46 129.23 24.69 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.788 0.328 . . . . 0.0 110.369 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.4 tp -83.16 93.91 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.3 -27.31 64.29 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -170.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.08 -179.81 40.55 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.333 -0.461 . . . . 0.0 112.06 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -125.58 163.39 26.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 121.372 0.606 . . . . 0.0 110.563 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 m -151.32 59.51 0.9 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.622 1.169 . . . . 0.0 108.019 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.36 -132.99 17.31 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -66.15 -11.05 46.77 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.077 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -98.86 149.2 23.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 118.934 0.788 . . . . 0.0 109.029 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.2 t -134.77 146.45 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -112.1 128.52 56.23 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -134.0 155.21 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -170.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.01 156.57 20.78 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' C' ' 1' ' ' MET . 64.0 mt -137.81 144.84 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -140.53 108.85 5.81 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.14 161.54 29.03 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 123.742 0.817 . . . . 0.0 109.283 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.28 156.84 63.07 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.912 2.408 . . . . 0.0 110.742 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -69.27 -0.46 6.2 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.012 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.19 -10.54 42.56 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.323 1.049 . . . . 0.0 110.296 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.52 169.18 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 124.554 1.142 . . . . 0.0 108.796 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.02 156.61 33.13 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 122.195 -0.316 . . . . 0.0 111.129 -175.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -145.19 128.68 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -156.55 158.13 36.59 Favored 'General case' 0 C--N 1.337 0.063 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.4 ptt85 -70.17 159.23 34.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -56.78 -23.92 46.73 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -170.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -75.06 -45.02 44.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.829 0.741 . . . . 0.0 110.797 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.6 mm -73.94 -28.46 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 73.3 t80 -59.91 -38.52 82.54 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.047 0.539 . . . . 0.0 111.158 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -70.53 -15.29 62.77 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -84.07 -11.05 57.32 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.551 0.34 . . . . 0.0 110.094 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 93.1 mt -110.6 -32.88 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.136 0.574 . . . . 0.0 110.885 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 56.1 mm-40 -81.73 2.97 27.4 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.858 -0.526 . . . . 0.0 110.926 177.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.3 -18.67 64.82 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.88 19.75 0.1 OUTLIER Glycine 0 C--N 1.343 0.929 0 CA-C-O 119.025 -0.875 . . . . 0.0 114.133 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.29 -25.06 0.44 Allowed 'General case' 0 C--N 1.338 0.095 0 CA-C-N 118.852 1.326 . . . . 0.0 114.574 -172.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m 37.44 36.4 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.654 1.182 . . . . 0.0 113.145 -173.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.15 98.18 2.95 Favored Pre-proline 0 N--CA 1.451 -0.424 0 C-N-CA 123.14 0.576 . . . . 0.0 109.845 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.13 -30.69 10.77 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 124.482 3.454 . . . . 0.0 114.248 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.8 t0 . . . . . 0 N--CA 1.453 -0.318 0 C-N-CA 122.76 0.424 . . . . 0.0 109.99 -175.242 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.678 -3.022 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C4'-C3'-C2' 99.179 -3.521 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C4'-C3'-C2' 99.405 -3.295 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C4'-C3'-C2' 99.621 -3.079 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 98.956 -3.744 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 99.324 -3.376 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 O4'-C1'-N19 110.917 2.717 . 0.597 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 100.171 -2.529 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . 0.453 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.63 1 C5'-C4'-C3' 109.295 -4.137 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . 0.453 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 C4'-C3'-C2' 99.689 -3.011 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C3'-C2'-C1' 104.041 2.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-C3' 111.221 -2.853 . 0.109 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 1 C5'-C4'-C3' 104.691 -7.206 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 1 P-O3'-C3' 125.916 5.18 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.096 -3.604 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 98.989 -3.711 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.302 -3.398 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.752 -2.948 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.408 -3.292 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C4'-C3'-C2' 99.221 -3.479 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 N19-C1'-C2' 109.122 -2.674 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.571 ' HG2' HD11 ' C' ' 3' ' ' ILE . 7.3 tpp . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.817 -0.068 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' C' ' 1' ' ' MET . 2.9 tm? -125.06 109.74 13.3 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 171.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.571 HD11 ' HG2' ' C' ' 1' ' ' MET . 5.0 mp -104.82 141.82 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.775 0.83 . . . . 0.0 110.029 -175.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.3 174.66 12.52 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.567 174.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -110.74 158.0 19.14 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.222 0.534 . . . . 0.0 111.239 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.24 153.05 38.2 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -95.55 149.07 21.83 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.579 HG11 HG12 ' C' ' 25' ' ' VAL . 15.9 m -56.78 119.65 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 177.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.85 5.06 25.86 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.332 -0.705 . . . . 0.0 112.914 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -121.22 -176.16 3.22 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.424 1.112 . . . . 0.0 110.82 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -135.95 171.39 14.54 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mt -146.12 166.39 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 126.699 1.999 . . . . 0.0 106.973 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -139.71 154.05 47.37 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 118.754 0.706 . . . . 0.0 111.858 -176.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -147.27 149.68 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 123.962 0.905 . . . . 0.0 109.648 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.51 13.99 4.53 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 124.741 1.162 . . . . 0.0 115.186 171.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 55.17 12.04 0.62 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -142.67 8.99 1.76 Allowed 'General case' 0 C--N 1.34 0.187 0 C-N-CA 123.667 0.787 . . . . 0.0 110.609 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.43 149.64 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -136.21 150.48 49.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.4 mm -133.02 147.75 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 13.1 m -141.98 125.1 16.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.419 HG22 ' H ' ' C' ' 22' ' ' ILE . 1.9 tp -81.08 87.1 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.53 -27.95 69.31 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -170.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.68 -173.92 43.92 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 120.39 -0.91 . . . . 0.0 113.106 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.579 HG12 HG11 ' C' ' 8' ' ' VAL . 7.7 p -141.35 140.27 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.882 0.873 . . . . 0.0 109.344 -173.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -150.76 83.5 1.34 Allowed 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.921 0.888 . . . . 0.0 108.631 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.68 -142.09 39.67 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 -173.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -69.89 -12.93 61.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.616 0.708 . . . . 0.0 111.589 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -78.23 149.81 33.57 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -142.76 118.59 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -90.05 136.19 33.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -135.59 150.95 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -170.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.61 150.38 18.36 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.3 mt -138.66 144.43 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -144.57 105.52 4.18 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.59 159.26 36.64 Favored Pre-proline 0 C--N 1.332 -0.155 0 C-N-CA 123.375 0.67 . . . . 0.0 109.797 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.23 154.03 75.75 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.466 2.778 . . . . 0.0 110.695 173.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -70.18 -2.02 11.9 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.99 -0.444 . . . . 0.0 110.758 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.93 -8.76 31.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.092 0.957 . . . . 0.0 110.032 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m -138.02 169.36 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.135 0.974 . . . . 0.0 108.534 176.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.12 160.23 30.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.063 -0.398 . . . . 0.0 111.537 -173.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.9 m -146.4 131.59 12.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -157.08 166.74 32.46 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 122.239 -0.288 . . . . 0.0 110.329 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.15 156.24 25.74 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 172.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -59.28 -23.9 62.79 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 122.11 -0.368 . . . . 0.0 111.374 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -75.18 -49.13 20.46 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.256 -0.278 . . . . 0.0 110.752 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.6 mm -69.6 -29.37 41.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-O 121.116 0.484 . . . . 0.0 110.31 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.479 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 83.5 t80 -59.38 -34.86 72.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.892 0.877 . . . . 0.0 112.104 -177.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -71.31 -16.25 62.45 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -177.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -85.17 -8.28 58.67 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 122.694 0.398 . . . . 0.0 109.963 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 82.4 mt -110.5 -44.37 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 122.592 0.357 . . . . 0.0 110.798 -173.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.479 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 67.5 mm-40 -68.56 0.71 3.78 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.43 -16.43 64.09 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.326 0.651 . . . . 0.0 111.779 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.19 15.24 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 CA-C-O 118.853 -0.97 . . . . 0.0 114.414 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -154.06 -175.97 5.64 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 119.111 1.455 . . . . 0.0 112.549 -172.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.1 p -144.74 10.2 1.37 Allowed 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 124.064 0.946 . . . . 0.0 110.489 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.73 128.13 5.58 Favored Pre-proline 0 N--CA 1.45 -0.443 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -54.09 175.9 0.12 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 124.448 3.432 . . . . 0.0 112.933 172.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.682 -179.436 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 C4'-C3'-C2' 99.733 -2.967 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.358 -3.342 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C4'-C3'-C2' 99.386 -3.314 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 C4'-C3'-C2' 99.34 -3.36 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 C4'-C3'-C2' 98.762 -3.938 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 C4'-C3'-C2' 99.586 -3.114 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 O4'-C1'-N19 111.169 2.969 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 O4'-C1'-N19 111.566 3.366 . 0.617 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.481 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 O4'-C1'-N19 111.771 3.571 . 0.491 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . 0.481 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 100.024 -2.676 . 0.016 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C3'-C2'-C1' 103.786 2.54 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.982 0 C5'-C4'-C3' 110.701 -3.2 . 0.126 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 1 C5'-C4'-C3' 105.426 -6.716 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . 0.4 " H5'" HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.988 1 P-O3'-C3' 125.485 4.821 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 C4'-C3'-C2' 99.059 -3.641 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.495 0 C4'-C3'-C2' 98.758 -3.942 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.34 -3.36 . 0.526 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.684 -3.016 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.876 0 C4'-C3'-C2' 99.257 -3.443 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.312 -3.388 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 O4'-C1'-N19 110.848 2.648 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HE1' ' HA3' ' C' ' 33' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 119.876 -0.106 . . . . 0.0 110.831 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -124.1 113.74 18.77 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 3' ' ' ILE . 4.5 mp -112.38 138.12 42.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 123.877 0.871 . . . . 0.0 108.971 -172.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.72 169.56 22.54 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 122.699 0.399 . . . . 0.0 110.79 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.4 p -106.0 157.84 17.22 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.605 0.717 . . . . 0.0 111.28 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -146.81 155.76 42.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.028 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -104.05 152.19 22.36 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 m -57.07 128.23 17.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.08 7.96 55.76 Favored Glycine 0 CA--C 1.531 1.074 0 CA-C-O 119.627 -0.541 . . . . 0.0 112.789 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -119.45 -177.35 3.35 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.903 0.851 . . . . 0.0 110.31 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 m -139.01 169.65 17.4 Favored 'General case' 0 C--N 1.339 0.147 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' C' ' 44' ' ' ARG . 39.1 mm -140.27 163.58 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 126.667 1.987 . . . . 0.0 106.245 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -136.36 150.35 48.79 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.259 0.936 . . . . 0.0 111.164 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -145.94 142.34 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.789 0.836 . . . . 0.0 110.77 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.03 18.85 9.68 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 124.265 0.936 . . . . 0.0 114.348 172.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p30 45.9 17.09 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.943 1.697 . . . . 0.0 115.079 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -137.67 6.42 2.71 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 123.597 0.759 . . . . 0.0 110.158 172.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.21 146.92 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -138.04 154.81 49.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -131.41 142.4 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.3 m -134.18 119.91 19.41 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.424 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.6 tp -78.76 92.46 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -68.57 -28.27 66.8 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -170.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.53 -178.73 38.97 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 121.381 -0.437 . . . . 0.0 112.22 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -117.27 163.12 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 CA-C-O 121.603 0.715 . . . . 0.0 110.754 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.2 t -151.07 58.58 0.91 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.66 -134.85 22.73 Favored Glycine 0 C--N 1.337 0.621 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.22 -9.59 33.65 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.133 0.466 . . . . 0.0 111.287 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -97.62 148.28 23.45 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.33 137.27 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -100.66 129.55 46.59 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -135.06 151.72 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -171.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.16 156.37 18.28 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' C' ' 1' ' ' MET . 66.3 mt -136.78 144.86 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -139.57 107.4 5.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.22 158.19 36.6 Favored Pre-proline 0 N--CA 1.452 -0.362 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.8 145.87 96.93 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.059 1.839 . . . . 0.0 108.992 175.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE3' " H2'" ' D' ' 65' ' ' ' G' . 14.1 tptm -62.68 -8.45 6.64 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.143 0.497 . . . . 0.0 110.999 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.4 -6.63 15.12 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.691 1.996 . . . . 0.0 112.346 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -133.84 169.23 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 176.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.67 156.19 25.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.838 0.29 . . . . 0.0 111.545 -173.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.5 m -146.58 126.24 5.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -156.28 160.88 40.16 Favored 'General case' 0 CA--C 1.521 -0.161 0 O-C-N 121.867 -0.52 . . . . 0.0 110.406 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -65.73 156.41 33.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.32 -23.52 62.55 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -76.19 -45.02 35.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.048 -0.407 . . . . 0.0 110.365 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.34 -31.92 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.473 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 82.7 t80 -58.44 -36.8 74.2 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.191 0.596 . . . . 0.0 111.376 -177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -70.19 -18.67 63.19 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -81.07 -9.43 59.83 Favored 'General case' 0 C--O 1.227 -0.109 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.7 mt -110.38 -44.65 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 122.6 0.36 . . . . 0.0 111.06 -173.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 63.2 mm-40 -68.39 -0.9 5.42 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 122.153 -0.342 . . . . 0.0 111.337 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.04 -17.46 64.46 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.043 0.537 . . . . 0.0 111.486 177.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.27 15.33 0.07 OUTLIER Glycine 0 CA--C 1.531 1.051 0 CA-C-O 118.713 -1.048 . . . . 0.0 114.427 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -154.14 -177.39 6.39 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.217 1.508 . . . . 0.0 112.718 -173.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.3 p -145.37 12.61 1.36 Allowed 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.05 0.94 . . . . 0.0 110.743 175.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.53 126.75 6.93 Favored Pre-proline 0 N--CA 1.451 -0.409 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -47.51 -31.78 14.37 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 124.633 3.556 . . . . 0.0 114.355 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -174.671 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.867 -2.833 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 C4'-C3'-C2' 99.121 -3.579 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 99.048 -3.652 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 O4'-C1'-N19 111.837 3.637 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 99.516 -3.184 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 C4'-C3'-C2' 99.462 -3.238 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 99.219 -3.481 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 O4'-C1'-N19 111.437 3.237 . 0.562 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . 0.535 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 O4'-C1'-N19 111.445 3.245 . 0.496 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . 0.535 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 C4'-C3'-C2' 99.084 -3.616 . 0.046 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 111.387 3.187 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . 0.612 " C2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 C3'-C2'-C1' 105.062 3.957 . 0.581 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . 0.612 H5'' " C2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.171 2 O5'-C5'-C4' 118.194 5.71 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . 0.581 " C5'" " H4'" ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.917 1 P-O3'-C3' 125.302 4.668 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 C4'-C3'-C2' 99.221 -3.479 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 C4'-C3'-C2' 98.922 -3.778 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C4'-C3'-C2' 99.542 -3.158 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 C4'-C3'-C2' 99.619 -3.081 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 C4'-C3'-C2' 99.395 -3.305 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.281 -3.419 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 99.895 -2.805 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.587 ' HG2' HD11 ' C' ' 3' ' ' ILE . 9.9 tpp . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.2 tm? -128.51 108.1 10.26 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 171.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.587 HD11 ' HG2' ' C' ' 1' ' ' MET . 5.1 mp -103.25 141.12 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.486 0.714 . . . . 0.0 110.205 -174.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -161.56 173.19 15.14 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.041 0.536 . . . . 0.0 110.687 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.0 p -108.43 157.21 18.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.382 0.61 . . . . 0.0 110.81 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 5.4 tpm_? -148.65 138.86 22.42 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.984 174.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -80.78 153.11 27.94 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.43 136.99 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.98 -0.28 72.51 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.437 -0.646 . . . . 0.0 112.52 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -104.47 -178.03 3.54 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.162 0.981 . . . . 0.0 110.131 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 40.0 m -137.53 169.12 18.33 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -171.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 59.1 mt -144.16 167.59 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 126.426 1.89 . . . . 0.0 107.018 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -140.89 155.88 46.21 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 121.667 -0.646 . . . . 0.0 111.713 -177.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -140.15 147.56 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.981 0.912 . . . . 0.0 108.601 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.12 -135.11 44.16 Favored Glycine 0 C--N 1.337 0.625 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -134.45 12.61 3.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.998 0.519 . . . . 0.0 109.904 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -142.84 11.25 1.82 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.366 0.666 . . . . 0.0 111.729 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.41 149.45 33.67 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 CA-C-O 121.627 0.727 . . . . 0.0 110.322 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.0 m -137.77 154.39 49.59 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 36.0 mm -137.65 149.78 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 -176.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -141.66 149.79 41.07 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.37 86.0 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.52 -25.55 67.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -169.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -176.93 37.8 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.548 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.67 163.61 16.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 CA-C-O 121.834 0.825 . . . . 0.0 110.264 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -151.18 59.87 0.91 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.24 -133.81 18.77 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.12 -10.3 48.7 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.269 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -97.47 150.93 20.52 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.852 0.751 . . . . 0.0 109.662 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.06 141.68 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -105.91 130.04 53.94 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.4 155.39 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.086 -169.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.406 ' HA3' ' HE1' ' A' ' 1' ' ' MET . . . -125.44 151.6 17.63 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -141.04 144.44 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -144.56 104.6 4.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -175.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.74 159.96 31.73 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 123.568 0.747 . . . . 0.0 109.822 -176.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.16 150.2 88.8 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 123.136 2.558 . . . . 0.0 110.235 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -64.43 -3.44 2.99 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.819 -0.551 . . . . 0.0 110.93 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.9 -6.25 15.78 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.965 0.906 . . . . 0.0 110.87 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -136.14 163.56 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.88 156.43 32.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.073 -0.392 . . . . 0.0 111.196 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 m -144.68 132.66 17.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -156.95 164.34 38.14 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.649 0.261 . . . . 0.0 110.905 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.441 ' HA ' HD13 ' A' ' 12' ' ' ILE . 15.0 ptm180 -69.94 151.04 46.08 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -59.75 -34.24 72.7 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -169.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -80.13 -13.89 58.92 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.38 -0.825 . . . . 0.0 111.781 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -90.55 -29.67 4.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 172.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.474 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 82.6 t80 -59.72 -37.06 77.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.457 0.703 . . . . 0.0 111.675 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -68.76 -17.78 64.1 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -84.94 -7.3 59.21 Favored 'General case' 0 C--N 1.341 0.229 0 C-N-CA 122.681 0.392 . . . . 0.0 110.265 176.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 86.9 mt -110.74 -42.87 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 122.715 0.406 . . . . 0.0 110.681 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.474 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 79.7 mm-40 -70.71 1.97 4.71 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.891 -0.506 . . . . 0.0 112.028 -178.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.06 -14.85 63.26 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.912 0.485 . . . . 0.0 111.947 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.29 14.91 0.06 OUTLIER Glycine 0 C--N 1.34 0.767 0 CA-C-O 119.316 -0.713 . . . . 0.0 114.093 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -152.7 -170.46 3.64 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.586 1.193 . . . . 0.0 111.507 -173.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 9.6 m -140.77 -4.96 1.19 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.511 0.324 . . . . 0.0 110.938 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.22 84.06 4.92 Favored Pre-proline 0 CA--C 1.532 0.27 0 O-C-N 122.118 -0.364 . . . . 0.0 110.502 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -49.03 -33.65 27.16 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 124.26 3.307 . . . . 0.0 113.431 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 N--CA 1.451 -0.419 0 C-N-CA 123.04 0.536 . . . . 0.0 110.072 -177.244 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.443 -3.257 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.233 -3.467 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.401 -3.299 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.537 -3.163 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 O4'-C1'-N19 111.608 3.408 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 C4'-C3'-C2' 99.741 -2.959 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 O4'-C1'-N19 111.19 2.99 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 O4'-C1'-N19 111.375 3.175 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.452 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 111.48 3.28 . 0.531 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . 0.452 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 C4'-C3'-C2' 99.661 -3.039 . 0.017 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . 0.41 " H2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 C3'-C2'-C1' 104.241 3.046 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 C5'-C4'-C3' 111.62 -2.587 . 0.047 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . 0.404 ' C6 ' ' CE ' ' C' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.42 -2.738 1 C5'-C4'-C3' 105.416 -6.723 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 1 P-O3'-C3' 125.671 4.976 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 99.0 -3.7 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 1 C4'-C3'-C2' 98.551 -4.149 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.397 -3.303 . 0.528 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.898 -2.802 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.372 -3.328 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C4'-C3'-C2' 99.419 -3.281 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C4'-C3'-C2' 99.847 -2.853 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.503 ' HG2' HD11 ' A' ' 3' ' ' ILE . 13.0 tpp . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.148 0.023 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.453 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.0 tm? -126.98 105.22 8.46 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.503 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.3 mp -100.01 144.09 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.108 0.963 . . . . 0.0 110.365 -175.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -162.3 173.77 13.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.654 0.782 . . . . 0.0 110.74 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -112.38 153.74 26.83 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.975 0.416 . . . . 0.0 110.995 176.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.417 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -145.52 164.87 30.3 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.579 1.152 . . . . 0.0 108.798 173.371 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -108.57 152.38 24.85 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.101 0.56 . . . . 0.0 109.526 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.53 HG11 HG12 ' A' ' 25' ' ' VAL . 13.8 m -58.43 114.64 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-O 120.926 0.393 . . . . 0.0 110.505 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.48 -12.06 13.96 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -91.02 -178.37 5.17 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 117.636 0.718 . . . . 0.0 111.158 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -140.55 171.86 13.52 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.32 0.581 . . . . 0.0 112.525 -173.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 12' ' ' ILE . 40.4 mt -146.52 166.34 7.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 126.095 1.758 . . . . 0.0 106.828 -176.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -140.75 148.39 40.62 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.037 -0.414 . . . . 0.0 111.004 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -145.83 145.53 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 C-N-CA 123.18 0.592 . . . . 0.0 110.568 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.38 13.64 7.69 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.926 0.774 . . . . 0.0 114.374 171.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 56.06 11.8 0.81 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.375 1.07 . . . . 0.0 113.726 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -141.62 7.77 1.92 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.269 0.628 . . . . 0.0 110.528 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.96 144.9 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.6 m -135.32 150.81 50.06 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -133.44 147.56 31.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -140.35 124.94 18.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.442 HG22 ' H ' ' A' ' 22' ' ' ILE . 2.1 tp -78.47 94.4 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 176.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.74 -26.46 65.26 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.85 -171.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.0 -171.84 42.51 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.364 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.53 HG12 HG11 ' A' ' 8' ' ' VAL . 7.4 p -139.87 146.83 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.842 0.857 . . . . 0.0 110.035 -173.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.8 m -147.06 67.08 1.15 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.658 1.183 . . . . 0.0 108.424 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.59 -131.5 14.57 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 -175.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.08 -23.57 67.2 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.641 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.4 ' HA ' ' HB3' ' C' ' 7' ' ' LYS . 13.3 tt0 -81.74 149.99 28.17 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.115 0.484 . . . . 0.0 110.141 -177.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -145.63 113.29 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -172.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -87.64 132.47 34.08 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -135.31 154.25 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -172.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.37 156.41 20.41 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.3 mt -136.22 144.51 32.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -176.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -141.33 107.97 5.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.19 159.22 33.16 Favored Pre-proline 0 N--CA 1.455 -0.222 0 C-N-CA 123.386 0.674 . . . . 0.0 109.819 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.43 154.45 68.37 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.119 2.546 . . . . 0.0 109.924 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.664 ' HE2' ' N3 ' ' D' ' 65' ' ' ' G' . 0.0 OUTLIER -70.03 -4.92 23.18 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 121.716 -0.615 . . . . 0.0 110.233 178.532 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.85 -6.7 17.32 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.73 1.212 . . . . 0.0 111.047 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.1 m -135.52 163.7 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.57 152.06 34.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.054 -0.404 . . . . 0.0 110.962 -174.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.86 131.51 15.39 Favored 'Isoleucine or valine' 0 C--N 1.337 0.057 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -156.17 162.8 40.16 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-O 120.937 0.399 . . . . 0.0 111.627 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -59.26 143.56 48.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 169.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -58.27 -27.66 64.23 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.181 0.446 . . . . 0.0 111.931 -174.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -63.86 -49.06 74.26 Favored 'General case' 0 CA--C 1.527 0.095 0 O-C-N 121.917 -0.489 . . . . 0.0 110.548 174.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.2 mm -72.98 -24.29 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 122.497 0.319 . . . . 0.0 110.545 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 75.2 t80 -62.31 -39.13 92.01 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -68.83 -20.63 64.31 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.943 -0.473 . . . . 0.0 111.895 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -77.37 -10.92 59.74 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.0 mt -109.97 -43.4 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 122.658 0.383 . . . . 0.0 110.773 -174.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 47.3 mm-40 -68.64 -0.09 4.81 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.056 -0.403 . . . . 0.0 111.698 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.45 -16.35 63.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.566 0.346 . . . . 0.0 111.648 176.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.95 15.68 0.09 OUTLIER Glycine 0 CA--C 1.528 0.888 0 CA-C-O 118.887 -0.952 . . . . 0.0 114.402 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -153.03 -177.81 6.53 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.99 1.395 . . . . 0.0 112.446 -172.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.3 p -145.15 10.68 1.31 Allowed 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.598 1.159 . . . . 0.0 110.769 174.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.55 127.76 6.29 Favored Pre-proline 0 N--CA 1.452 -0.341 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.9 172.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 124.754 3.636 . . . . 0.0 114.211 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 CA--C 1.533 0.309 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.571 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C5'-C4'-C3' 111.293 -2.805 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C4'-C3'-C2' 99.306 -3.394 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 99.35 -3.35 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.645 -3.055 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 98.87 -3.83 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 C4'-C3'-C2' 99.383 -3.317 . 0.558 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.848 0 O4'-C1'-N19 110.999 2.799 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 C4'-C3'-C2' 100.122 -2.578 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . 0.409 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.654 1 C5'-C4'-C3' 108.932 -4.378 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . 0.409 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 O4'-C1'-N19 111.256 3.056 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . 0.402 " O2'" ' HE3' ' C' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 O4'-C1'-N19 111.143 2.943 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 C5'-C4'-C3' 110.994 -3.004 . 0.155 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.025 1 C5'-C4'-C3' 109.051 -4.299 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C5'-C4'-C3' 110.14 -3.573 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 99.332 -3.368 . 0.618 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 98.91 -3.79 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.386 -3.314 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.74 -2.96 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.607 -3.093 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.483 -3.217 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 C4'-C3'-C2' 99.954 -2.746 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.573 ' HG2' HD11 ' C' ' 3' ' ' ILE . 9.8 tpp . . . . . 0 N--CA 1.472 0.635 0 CA-C-O 120.386 0.136 . . . . 0.0 110.735 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' C' ' 1' ' ' MET . 2.8 tm? -123.22 105.48 9.92 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 172.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.573 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.9 mp -100.51 142.76 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.033 0.933 . . . . 0.0 110.434 -174.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.3 168.51 23.87 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.313 0.645 . . . . 0.0 110.503 174.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.2 p -107.59 151.36 25.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.626 0.727 . . . . 0.0 111.444 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.2 OUTLIER -145.42 170.17 16.88 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 126.089 1.755 . . . . 0.0 106.578 173.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . 19.1 pttm -143.05 168.65 19.22 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.461 HG11 HG12 ' C' ' 25' ' ' VAL . 17.7 m -48.37 128.94 4.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.05 5.08 62.69 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 119.5 -0.611 . . . . 0.0 112.956 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -108.12 176.29 5.18 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.144 0.972 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.4 m -141.41 171.01 14.65 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.416 HG22 ' H ' ' C' ' 13' ' ' ASN . 8.5 mt -143.84 170.08 9.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 125.575 1.55 . . . . 0.0 107.124 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . 0.416 ' H ' HG22 ' C' ' 12' ' ' ILE . 11.0 t-20 -140.57 146.9 38.63 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 121.474 -0.766 . . . . 0.0 110.758 -178.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -145.86 142.84 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 123.618 0.767 . . . . 0.0 110.341 -176.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.52 10.42 5.91 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.122 0.868 . . . . 0.0 114.789 171.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.4 t0 55.56 14.32 1.18 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.099 0.95 . . . . 0.0 113.508 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -140.88 6.83 2.03 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.317 0.647 . . . . 0.0 110.108 174.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.79 147.85 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -139.74 152.82 46.94 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 mm -130.92 148.01 33.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -142.97 125.56 15.84 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -79.37 95.19 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.9 mt -70.72 -27.07 63.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -171.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.77 177.12 40.54 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.209 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.461 HG12 HG11 ' C' ' 8' ' ' VAL . 7.1 p -132.48 149.29 32.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 C-N-CA 123.126 0.571 . . . . 0.0 110.454 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.1 p -151.08 78.85 1.3 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.82 0.848 . . . . 0.0 109.103 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.3 -141.97 36.55 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.12 -10.85 44.73 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 118.931 -0.557 . . . . 0.0 111.495 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -97.87 148.69 23.17 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 118.8 0.727 . . . . 0.0 109.605 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 23.2 t -137.09 138.68 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -104.4 127.38 52.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -132.09 153.26 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -171.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.47 155.27 19.94 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 1' ' ' MET . 67.4 mt -135.24 144.65 33.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -178.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -138.08 109.14 6.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.66 159.14 32.43 Favored Pre-proline 0 C--O 1.234 0.277 0 C-N-CA 123.578 0.751 . . . . 0.0 109.584 -177.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.54 152.22 82.49 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.981 2.454 . . . . 0.0 110.443 173.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . 0.402 ' HE3' " O2'" ' B' ' 65' ' ' ' G' . 22.0 mmtp -63.98 -1.5 1.5 Allowed 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 173.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.26 -10.78 45.52 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.375 1.07 . . . . 0.0 110.502 174.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -138.36 169.09 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.625 1.17 . . . . 0.0 108.187 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.49 155.46 34.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.277 -0.264 . . . . 0.0 110.819 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -144.07 128.37 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -156.72 156.8 34.0 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 ptt-85 -64.08 155.65 30.72 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 170.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.01 -23.24 61.76 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -170.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -69.29 -52.55 26.4 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 118.536 0.607 . . . . 0.0 110.972 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 25.4 mm -65.51 -26.65 39.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.099 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.43 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 76.3 t80 -62.81 -39.06 93.14 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 122.665 0.386 . . . . 0.0 110.68 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -71.7 -15.96 62.22 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.98 -0.45 . . . . 0.0 111.536 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -84.37 -8.5 58.97 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 122.948 0.499 . . . . 0.0 110.262 174.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -110.39 -44.95 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 122.426 0.29 . . . . 0.0 110.713 -175.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.43 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 54.8 mm-40 -66.52 -1.91 4.12 Favored 'General case' 0 C--N 1.339 0.111 0 O-C-N 121.965 -0.46 . . . . 0.0 111.558 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.49 -16.32 63.54 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.122 0.569 . . . . 0.0 111.593 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.34 14.33 0.06 OUTLIER Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.871 -0.96 . . . . 0.0 114.661 175.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -154.64 178.72 9.79 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.357 1.578 . . . . 0.0 112.59 -172.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 40.5 p -148.26 9.4 0.85 Allowed 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.676 0.79 . . . . 0.0 110.742 174.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.83 122.58 3.96 Favored Pre-proline 0 N--CA 1.451 -0.377 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -50.67 -36.45 50.79 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 124.152 3.234 . . . . 0.0 113.33 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 N--CA 1.455 -0.205 0 C-N-CA 122.722 0.409 . . . . 0.0 110.912 -176.264 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C5'-C4'-C3' 111.148 -2.901 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.398 -3.302 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C4'-C3'-C2' 99.548 -3.152 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 0 C4'-C3'-C2' 99.53 -3.17 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 98.805 -3.895 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 99.424 -3.276 . 0.558 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 111.524 3.324 . 0.63 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C5'-C4'-C3' 111.612 -2.592 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.475 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.546 1 C5'-C4'-C3' 108.779 -4.481 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . 0.475 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 C4'-C3'-C2' 99.911 -2.789 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . 0.664 ' N3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.925 0 C3'-C2'-C1' 105.061 3.957 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 C5'-C4'-C3' 111.103 -2.931 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 1 C5'-C4'-C3' 105.268 -6.821 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 1 P-O3'-C3' 125.596 4.913 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.32 -3.38 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 C4'-C3'-C2' 98.947 -3.753 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.356 -3.344 . 0.557 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 99.902 -2.798 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.646 -3.054 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C4'-C3'-C2' 99.482 -3.218 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.881 -2.819 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mmm . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 121.178 0.513 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -136.03 113.84 11.13 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 168.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -112.76 141.19 29.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 123.555 0.742 . . . . 0.0 110.244 -172.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -160.88 166.55 28.27 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.03 0.532 . . . . 0.0 110.492 175.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.1 p -102.99 157.16 17.17 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.206 0.527 . . . . 0.0 111.21 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -146.05 164.5 31.93 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.851 1.66 . . . . 0.0 107.875 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -118.72 158.69 25.06 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.652 HG11 HG12 ' A' ' 25' ' ' VAL . 18.3 m -53.66 121.35 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.49 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.34 8.76 35.05 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 119.767 -0.463 . . . . 0.0 112.764 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -116.01 179.83 3.87 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.025 0.912 . . . . 0.0 110.184 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -140.59 169.94 16.72 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 121.76 0.79 . . . . 0.0 112.669 -172.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.1 mm -142.76 163.36 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 126.94 2.096 . . . . 0.0 106.631 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -137.94 154.84 49.37 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.662 -0.649 . . . . 0.0 111.781 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -141.14 144.43 26.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.48 -136.3 40.18 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -134.87 15.11 3.6 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.216 0.606 . . . . 0.0 109.987 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -141.14 8.52 2.06 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.612 0.765 . . . . 0.0 111.831 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.92 147.48 33.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 118.807 0.731 . . . . 0.0 110.848 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.5 m -140.39 154.62 46.76 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.217 1.007 . . . . 0.0 108.374 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -135.67 149.72 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -143.51 151.84 40.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.06 89.89 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.0 mt -69.26 -23.64 63.88 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -170.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.62 -176.43 44.14 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.744 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.652 HG12 HG11 ' A' ' 8' ' ' VAL . 9.2 p -141.07 144.76 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 123.777 0.831 . . . . 0.0 109.531 -175.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 m -149.95 73.7 1.18 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.764 0.826 . . . . 0.0 108.837 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.11 -139.39 29.46 Favored Glycine 0 C--N 1.338 0.685 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.27 -16.58 64.14 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.789 176.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.95 151.11 24.46 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 119.062 0.846 . . . . 0.0 109.076 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -143.7 133.18 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -99.1 130.25 45.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -128.4 153.89 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -169.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' HA3' ' HE1' ' C' ' 1' ' ' MET . . . -124.37 152.92 17.49 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.5 mt -141.01 143.19 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -143.98 104.51 4.16 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.64 159.69 33.93 Favored Pre-proline 0 N--CA 1.451 -0.42 0 C-N-CA 124.125 0.97 . . . . 0.0 109.389 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -65.19 152.28 82.72 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.874 2.383 . . . . 0.0 110.316 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -69.57 -1.97 10.2 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.13 -0.356 . . . . 0.0 110.516 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -69.09 -7.16 33.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.985 0.914 . . . . 0.0 110.421 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.47 169.21 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.15 155.56 34.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.169 -0.332 . . . . 0.0 111.634 -172.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -146.73 131.41 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.413 ' HD1' ' H1 ' ' D' ' 64' ' ' ' G' . 14.6 m-70 -158.18 169.11 25.25 Favored 'General case' 0 C--O 1.232 0.132 0 O-C-N 121.592 -0.693 . . . . 0.0 112.003 177.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.18 150.78 28.86 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.639 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.89 -23.98 65.62 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 122.302 -0.249 . . . . 0.0 111.109 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -78.91 -42.89 25.98 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.307 -0.246 . . . . 0.0 110.681 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -70.31 -33.76 55.59 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 C-N-CA 122.828 0.451 . . . . 0.0 110.029 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 79.1 t80 -57.59 -34.12 68.9 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.291 0.637 . . . . 0.0 111.58 -177.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -70.28 -17.56 63.1 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -86.13 -9.97 55.69 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 122.789 0.436 . . . . 0.0 110.49 176.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.9 mt -110.45 -33.84 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.07 0 C-N-CA 122.875 0.47 . . . . 0.0 110.865 -172.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 62.1 mm-40 -82.63 3.32 29.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.223 -0.298 . . . . 0.0 111.013 176.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.61 -17.87 64.91 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.01 21.87 0.09 OUTLIER Glycine 0 CA--C 1.527 0.786 0 CA-C-O 118.849 -0.973 . . . . 0.0 114.237 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 56' ' ' THR . 0.9 OUTLIER -146.38 -28.6 0.4 Allowed 'General case' 0 CA--C 1.527 0.086 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -173.528 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.404 ' N ' HD12 ' A' ' 55' ' ' LEU . 2.2 m 35.73 40.07 0.08 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.141 0.976 . . . . 0.0 113.181 -172.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.54 83.0 6.58 Favored Pre-proline 0 N--CA 1.454 -0.227 0 C-N-CA 123.384 0.674 . . . . 0.0 110.142 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -46.55 -29.61 7.65 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 125.177 3.918 . . . . 0.0 114.714 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.2 t0 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -172.364 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 C4'-C3'-C2' 99.794 -2.906 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 0 C4'-C3'-C2' 99.396 -3.304 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.435 -3.265 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 O4'-C1'-N19 111.284 3.084 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C4'-C3'-C2' 99.044 -3.656 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.86 0 C4'-C3'-C2' 98.876 -3.824 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.919 -2.781 . 0.611 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 100.341 -2.359 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . 0.431 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 112.035 3.835 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . 0.431 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.833 -2.867 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 N19-C1'-C2' 109.438 -2.476 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . 0.419 ' C6 ' " H1'" ' B' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C5'-C4'-C3' 111.846 -2.436 . 0.145 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 1 C5'-C4'-C3' 107.073 -5.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . 0.419 " H1'" ' C6 ' ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C5'-C4'-C3' 110.217 -3.522 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.589 -3.111 . 0.543 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 C4'-C3'-C2' 98.957 -3.743 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.342 -3.358 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.835 -2.865 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.44 -3.26 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.573 -3.127 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 O4'-C1'-N19 111.159 2.959 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.412 ' HE1' ' HA3' ' A' ' 33' ' ' GLY . 1.5 mmm . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 119.987 -0.054 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.81 115.18 16.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.0 138.88 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.91 0.884 . . . . 0.0 109.874 -172.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -160.91 168.06 25.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.844 0.458 . . . . 0.0 110.644 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.9 p -107.24 157.26 18.04 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.481 0.657 . . . . 0.0 111.575 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.427 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.1 OUTLIER -146.86 164.92 31.31 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.249 1.819 . . . . 0.0 107.19 175.186 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -117.37 161.97 18.68 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 171.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.612 HG11 HG12 ' C' ' 25' ' ' VAL . 20.0 m -51.59 128.31 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.589 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.69 8.68 57.04 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.499 -0.611 . . . . 0.0 112.761 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -113.67 176.1 5.17 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.42 1.11 . . . . 0.0 110.59 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.3 m -139.55 169.16 18.26 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -171.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.4 mm -141.24 161.52 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 127.012 2.125 . . . . 0.0 106.94 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -134.86 154.32 51.69 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.676 -0.64 . . . . 0.0 111.293 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -141.13 139.59 33.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.56 -131.41 46.55 Favored Glycine 0 C--N 1.337 0.629 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -139.41 17.61 2.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.396 0.679 . . . . 0.0 109.46 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -142.35 6.94 1.73 Allowed 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.94 0.496 . . . . 0.0 111.703 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.04 146.34 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.003 0.82 . . . . 0.0 110.783 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 61.9 m -140.99 152.95 45.33 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.0 mm -136.58 148.45 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -144.33 143.51 31.01 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.882 0.372 . . . . 0.0 110.108 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -97.77 93.43 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.24 -28.01 66.85 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.662 -170.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.93 -178.39 44.19 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.334 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.612 HG12 HG11 ' C' ' 8' ' ' VAL . 11.4 p -137.17 146.13 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.485 0.714 . . . . 0.0 109.654 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -147.89 71.61 1.19 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.561 1.144 . . . . 0.0 108.458 -177.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.58 -137.89 26.6 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -66.0 -18.01 65.06 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.584 -0.722 . . . . 0.0 110.783 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.4 149.34 26.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 119.075 0.852 . . . . 0.0 109.253 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.6 t -143.4 129.8 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -97.26 130.37 44.47 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -129.87 147.17 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 O-C-N 123.446 0.466 . . . . 0.0 109.906 -170.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.01 150.41 18.63 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 66.7 mt -137.45 144.43 31.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -144.18 105.98 4.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -176.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.28 158.66 34.41 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.576 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.65 153.01 79.5 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.767 2.311 . . . . 0.0 110.702 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -69.61 -2.04 10.52 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.221 -0.299 . . . . 0.0 110.545 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.1 -7.8 44.35 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.909 0.883 . . . . 0.0 110.546 172.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -136.86 169.62 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.25 157.59 26.75 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 122.21 -0.306 . . . . 0.0 111.822 -173.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 m -148.68 131.35 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 N-CA-C 108.336 -0.986 . . . . 0.0 108.336 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -158.03 166.8 31.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.52 0.676 . . . . 0.0 112.71 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.516 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 52.1 ttt180 -63.63 146.84 53.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.577 -1.192 . . . . 0.0 107.976 169.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -57.76 -23.85 54.21 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.516 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 13.0 tp10 -72.93 -45.06 60.19 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.072 -0.392 . . . . 0.0 110.361 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 mm -72.28 -30.48 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 C-N-CA 122.866 0.467 . . . . 0.0 110.406 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.489 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 77.7 t80 -59.57 -35.57 74.52 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.154 0.982 . . . . 0.0 111.718 -176.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -70.25 -17.45 63.12 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -176.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -82.17 -9.54 59.48 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 122.966 0.506 . . . . 0.0 110.475 175.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 85.5 mt -110.54 -43.79 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 122.427 0.291 . . . . 0.0 110.504 -172.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.489 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 62.6 mm-40 -68.99 0.02 5.06 Favored 'General case' 0 CA--C 1.529 0.136 0 O-C-N 121.889 -0.507 . . . . 0.0 111.69 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.03 -17.26 64.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.003 0.521 . . . . 0.0 111.659 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.25 15.29 0.07 OUTLIER Glycine 0 CA--C 1.528 0.877 0 CA-C-O 118.843 -0.976 . . . . 0.0 114.195 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.406 ' C ' HD12 ' C' ' 55' ' ' LEU . 2.7 pp -155.37 -179.03 7.7 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.805 1.303 . . . . 0.0 113.282 -172.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 26.2 p -147.65 4.43 0.77 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.902 0.881 . . . . 0.0 110.745 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.85 73.63 6.45 Favored Pre-proline 0 CA--C 1.536 0.409 0 C-N-CA 122.89 0.476 . . . . 0.0 110.649 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -53.77 -170.84 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 124.76 3.64 . . . . 0.0 115.733 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 CA--C 1.533 0.311 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.193 -176.334 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.899 -2.801 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C4'-C3'-C2' 99.272 -3.428 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.346 -3.354 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 O4'-C1'-N19 111.61 3.41 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 98.985 -3.715 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 C4'-C3'-C2' 99.445 -3.255 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.834 -2.866 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 C4'-C3'-C2' 99.875 -2.825 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.426 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C5'-C4'-C3' 109.583 -3.944 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . 0.426 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 C4'-C3'-C2' 99.755 -2.945 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.717 0 O4'-C1'-N19 110.774 2.574 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . 0.624 " H2'" H5'' ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 C3'-C2'-C1' 104.734 3.594 . 0.492 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . 0.624 H5'' " H2'" ' D' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.372 2 O5'-C5'-C4' 118.294 5.782 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . 0.58 " C5'" " H4'" ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.011 1 P-O3'-C3' 125.08 4.483 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 C4'-C3'-C2' 99.369 -3.331 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 98.714 -3.986 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.206 -3.494 . 0.567 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.979 -2.721 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 O4'-C1'-N19 111.33 3.13 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 C4'-C3'-C2' 99.511 -3.189 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.718 -2.982 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 mmm . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.151 0.5 . . . . 0.0 111.512 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -135.67 111.91 9.74 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 169.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.424 HD13 " H5'" ' B' ' 68' ' ' ' G' . 4.5 mp -107.38 151.22 9.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 C-N-CA 123.663 0.785 . . . . 0.0 110.255 -171.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -149.68 175.55 11.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.237 1.015 . . . . 0.0 111.508 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -129.28 117.45 20.7 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 168.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -112.51 164.47 13.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -120.17 158.2 27.45 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.367 0.604 . . . . 0.0 110.168 171.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -53.24 129.73 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.897 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.91 8.79 58.93 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.605 -0.553 . . . . 0.0 112.549 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -118.03 -179.26 3.71 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 117.886 0.843 . . . . 0.0 110.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.8 m -139.79 170.54 15.69 Favored 'General case' 0 C--N 1.339 0.145 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -171.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.9 mt -143.23 165.62 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 126.163 1.785 . . . . 0.0 107.07 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -137.46 154.39 49.92 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.507 -0.746 . . . . 0.0 112.002 -175.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.22 139.77 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.063 0.945 . . . . 0.0 108.537 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.92 -134.2 40.27 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -137.52 17.73 2.91 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.467 0.707 . . . . 0.0 109.266 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -140.32 6.75 2.14 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.723 0.409 . . . . 0.0 111.526 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -132.55 147.14 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 CA-C-N 118.643 0.656 . . . . 0.0 110.552 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -139.84 153.54 47.09 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.5 mm -133.58 149.37 30.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -176.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m -141.21 154.16 45.67 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -117.91 86.74 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -66.46 -25.54 66.77 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -169.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.2 -177.07 41.35 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.714 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.4 m -129.34 162.11 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-O 121.214 0.53 . . . . 0.0 110.283 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -150.61 67.46 0.95 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 176.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.35 -134.55 21.29 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -65.76 -17.11 64.39 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.78 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.11 149.89 25.23 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.4 t -142.45 128.95 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -92.8 127.48 38.32 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -126.77 155.17 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -171.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' HA3' ' HE1' ' C' ' 1' ' ' MET . . . -126.73 152.19 18.41 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.1 mt -141.08 143.15 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -143.89 102.55 3.91 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.18 159.23 33.15 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.679 0.792 . . . . 0.0 109.685 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.94 152.26 81.62 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.152 2.568 . . . . 0.0 110.977 175.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -65.13 -5.42 6.63 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 121.989 -0.444 . . . . 0.0 110.663 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.6 -6.46 15.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.865 0.866 . . . . 0.0 110.912 174.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -136.08 161.26 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.74 153.4 30.37 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 122.172 -0.33 . . . . 0.0 110.706 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.3 m -144.08 131.14 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -157.72 159.76 37.2 Favored 'General case' 0 N--CA 1.461 0.12 0 O-C-N 122.187 -0.321 . . . . 0.0 110.312 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' H ' ' HG2' ' A' ' 44' ' ' ARG . 15.3 ptt180 -61.44 149.61 38.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 170.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.51 -24.35 65.25 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -171.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -73.46 -42.9 61.36 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.769 -0.582 . . . . 0.0 110.274 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mp -71.52 -28.23 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 122.916 0.486 . . . . 0.0 109.697 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.5 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 79.1 t80 -59.99 -37.24 79.07 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 122.298 0.239 . . . . 0.0 111.053 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -69.44 -18.18 63.71 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -84.76 -8.54 58.79 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 122.927 0.491 . . . . 0.0 110.225 176.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.9 mt -110.7 -40.64 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 122.57 0.348 . . . . 0.0 110.331 -174.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.5 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 63.0 mm-40 -72.74 2.92 5.73 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 122.094 -0.378 . . . . 0.0 111.913 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.58 -15.29 63.32 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.171 0.588 . . . . 0.0 111.895 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.84 15.58 0.07 OUTLIER Glycine 0 CA--C 1.529 0.961 0 CA-C-O 119.254 -0.748 . . . . 0.0 114.031 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -153.34 -167.44 2.71 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.579 1.189 . . . . 0.0 111.799 -173.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.4 m -135.2 -11.5 2.19 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.726 0.411 . . . . 0.0 110.939 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.74 97.84 2.3 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 123.059 0.543 . . . . 0.0 109.634 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -53.11 169.86 0.37 Allowed 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 124.372 3.381 . . . . 0.0 113.873 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 N--CA 1.454 -0.24 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.708 -178.829 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 99.784 -2.916 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.511 -3.189 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 99.264 -3.436 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 O4'-C1'-N19 111.57 3.37 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C4'-C3'-C2' 98.855 -3.845 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C4'-C3'-C2' 99.471 -3.229 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 O4'-C1'-N19 111.007 2.807 . 0.611 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 O4'-C1'-N19 110.595 2.395 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 1 C5'-C4'-C3' 109.39 -4.073 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.873 -2.827 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 O4'-C1'-N19 110.828 2.628 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.863 0 C5'-C4'-C3' 111.895 -2.403 . 0.148 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 1 C5'-C4'-C3' 104.922 -7.052 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . 0.424 " H5'" HD13 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.0 1 P-O3'-C3' 125.771 5.059 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 0 C4'-C3'-C2' 99.363 -3.337 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 C4'-C3'-C2' 98.72 -3.98 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.397 -3.303 . 0.542 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.813 -2.887 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.733 -2.967 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.521 -3.179 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.765 -2.935 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.446 ' HE1' ' HA3' ' A' ' 33' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 119.547 -0.263 . . . . 0.0 110.585 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -128.93 115.09 17.3 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.433 HD11 " H5'" ' D' ' 67' ' ' ' C' . 4.9 mp -114.17 137.02 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.629 0.772 . . . . 0.0 109.395 -172.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.8 175.24 12.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.732 175.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -115.13 151.4 34.41 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.476 0.655 . . . . 0.0 111.54 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -145.51 166.15 26.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.953 1.701 . . . . 0.0 106.865 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -117.36 161.3 19.76 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.572 HG11 HG12 ' C' ' 25' ' ' VAL . 29.6 m -49.13 129.03 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.681 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.61 9.81 59.69 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.939 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -116.28 174.11 6.23 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.456 1.128 . . . . 0.0 110.361 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 52.6 m -138.34 170.49 15.93 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -169.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 44.4 mt -143.99 166.94 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 125.974 1.71 . . . . 0.0 107.005 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -138.08 150.73 47.16 Favored 'General case' 0 C--N 1.334 -0.093 0 O-C-N 121.71 -0.619 . . . . 0.0 111.063 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -147.4 143.27 19.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 123.459 0.704 . . . . 0.0 110.3 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.5 12.17 8.69 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.148 0.88 . . . . 0.0 114.975 171.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.5 t0 56.09 13.13 1.09 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -141.39 5.33 1.84 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.253 0.621 . . . . 0.0 110.694 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.22 148.15 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 9.8 m -138.11 152.38 48.7 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.2 mm -133.28 148.16 31.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.5 m -145.87 127.35 15.04 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -79.42 93.53 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.35 -27.44 67.13 Favored 'General case' 0 N--CA 1.458 -0.073 0 O-C-N 122.295 -0.253 . . . . 0.0 111.589 -172.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.25 179.42 41.75 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.572 HG12 HG11 ' C' ' 8' ' ' VAL . 11.4 p -134.47 145.15 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -147.84 72.18 1.22 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.45 -139.57 30.71 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -66.57 -16.81 64.44 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.09 -0.481 . . . . 0.0 111.174 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.84 147.02 27.02 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.83 123.21 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -89.63 130.51 35.91 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.51 149.05 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -171.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.2 152.96 17.75 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -138.62 144.45 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -144.22 106.03 4.31 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.77 158.07 40.1 Favored Pre-proline 0 CA--C 1.531 0.231 0 C-N-CA 123.592 0.757 . . . . 0.0 109.516 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.25 150.88 81.62 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.644 2.229 . . . . 0.0 110.117 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -67.49 -2.38 6.38 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.169 -0.332 . . . . 0.0 110.965 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.59 -7.89 42.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.592 0.757 . . . . 0.0 110.566 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -136.99 168.77 21.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.8 155.03 28.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 122.358 -0.214 . . . . 0.0 111.362 -173.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.4 m -146.33 130.45 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -155.53 159.61 39.86 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.163 0.506 . . . . 0.0 111.254 175.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -62.7 147.87 48.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 171.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -59.71 -23.82 63.46 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -78.37 -24.5 46.35 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 122.03 -0.419 . . . . 0.0 111.025 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.36 -33.72 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.068 0 C-N-CA 123.15 0.58 . . . . 0.0 109.466 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.511 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 78.0 t80 -57.5 -36.23 71.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.361 0.664 . . . . 0.0 111.295 -178.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -68.61 -18.8 64.38 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -81.88 -9.83 59.48 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 118.034 0.379 . . . . 0.0 110.112 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 77.7 mt -110.42 -42.29 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 122.762 0.425 . . . . 0.0 110.618 -173.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.511 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 55.0 mm-40 -70.57 1.7 4.88 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 122.105 -0.372 . . . . 0.0 111.582 -179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.4 -16.5 64.13 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.834 0.454 . . . . 0.0 111.329 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.2 16.95 0.09 OUTLIER Glycine 0 C--N 1.34 0.758 0 CA-C-O 119.001 -0.888 . . . . 0.0 114.516 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -154.28 -175.68 5.51 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.977 1.388 . . . . 0.0 112.524 -172.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 20.4 p -144.36 10.58 1.47 Allowed 'General case' 0 N--CA 1.461 0.078 0 C-N-CA 124.436 1.094 . . . . 0.0 110.486 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.53 126.22 6.73 Favored Pre-proline 0 N--CA 1.451 -0.408 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.7 167.96 0.24 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 124.524 3.483 . . . . 0.0 114.819 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 CA--C 1.532 0.26 0 C-N-CA 124.485 1.114 . . . . 0.0 112.544 -179.582 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C5'-C4'-C3' 111.519 -2.654 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.385 -3.315 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 99.102 -3.598 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C4'-C3'-C2' 99.423 -3.277 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C4'-C3'-C2' 99.338 -3.362 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.422 -3.278 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.86 0 C4'-C3'-C2' 99.592 -3.108 . 0.604 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 O4'-C1'-N19 111.391 3.191 . 0.524 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.454 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 O4'-C1'-N19 110.809 2.609 . 0.362 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . 0.454 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C4'-C3'-C2' 99.586 -3.114 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 O4'-C1'-N19 111.534 3.334 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . 0.603 " H2'" H5'' ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.234 1 C3'-C2'-C1' 105.12 4.022 . 0.515 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . 0.603 H5'' " H2'" ' D' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.444 1 O5'-C5'-C4' 119.018 6.299 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . 0.507 H5'' " H4'" ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.709 1 C5'-C4'-C3' 108.948 -4.368 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.214 -3.486 . 0.515 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 1 C4'-C3'-C2' 98.508 -4.192 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 99.04 -3.66 . 0.589 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.395 -3.305 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C4'-C3'-C2' 99.528 -3.172 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 C4'-C3'-C2' 99.349 -3.351 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 O4'-C1'-N19 110.936 2.736 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.477 ' HG2' HD11 ' A' ' 3' ' ' ILE . 13.0 tpp . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.466 0.175 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.7 tm? -126.06 107.09 10.09 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 171.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.2 mp -100.74 144.37 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.182 0.993 . . . . 0.0 110.249 -175.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pp -163.67 175.69 10.35 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.584 0.754 . . . . 0.0 110.846 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.9 p -117.15 156.47 27.58 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 121.523 0.678 . . . . 0.0 111.218 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.89 164.23 32.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.341 1.456 . . . . 0.0 108.005 172.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -106.58 153.36 22.46 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.563 HG11 HG12 ' A' ' 25' ' ' VAL . 14.3 m -57.92 114.77 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.05 9.41 15.89 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.356 -0.691 . . . . 0.0 112.696 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -118.63 -179.53 3.83 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.278 1.039 . . . . 0.0 110.747 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -139.82 172.04 13.35 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -169.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.7 mt -152.52 167.48 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 126.742 2.017 . . . . 0.0 107.311 -172.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -143.39 154.71 44.0 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.154 0.502 . . . . 0.0 111.789 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.8 mt -139.26 143.61 30.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.86 -134.78 43.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -176.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -137.39 17.88 2.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -141.68 7.96 1.92 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.585 0.754 . . . . 0.0 111.526 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.48 147.12 33.16 Favored 'Isoleucine or valine' 0 C--N 1.339 0.144 0 CA-C-N 118.664 0.665 . . . . 0.0 110.166 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 m -140.77 153.96 46.07 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.256 1.022 . . . . 0.0 108.608 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -137.81 146.57 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 m -141.19 128.22 20.72 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.407 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.4 tp -81.0 98.1 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.25 -24.08 60.42 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.11 -172.64 40.8 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.316 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.563 HG12 HG11 ' A' ' 8' ' ' VAL . 7.4 p -144.2 146.05 21.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.866 0.866 . . . . 0.0 110.586 -173.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 m -150.85 99.81 2.75 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.131 0.972 . . . . 0.0 108.882 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.51 -126.62 38.04 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 -175.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -89.82 -9.6 48.54 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 117.783 0.791 . . . . 0.0 109.386 175.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -74.18 151.45 40.0 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.3 t -146.8 114.73 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -86.57 129.31 34.91 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.444 HD11 HH22 ' C' ' 6' ' ' ARG . 1.3 mt -136.55 150.04 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.87 156.31 15.74 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.9 mt -135.71 144.31 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -142.09 109.81 5.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.35 159.94 32.66 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.615 0.766 . . . . 0.0 109.121 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.1 153.31 78.62 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.903 2.402 . . . . 0.0 110.254 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -70.4 -1.29 10.24 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.057 -0.402 . . . . 0.0 110.569 176.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.1 -7.19 33.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.669 0.788 . . . . 0.0 110.758 171.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -137.24 169.27 19.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.079 0.952 . . . . 0.0 108.487 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.86 160.63 28.34 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.029 -0.419 . . . . 0.0 112.071 -172.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -145.81 133.95 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -156.5 164.1 38.63 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 122.104 -0.372 . . . . 0.0 110.345 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -68.15 153.44 43.73 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 172.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -57.7 -23.91 54.07 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.94 -44.16 55.86 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.276 0.489 . . . . 0.0 110.386 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -72.58 -31.21 36.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 121.145 0.497 . . . . 0.0 109.99 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.469 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 82.7 t80 -60.75 -35.44 76.4 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.603 0.761 . . . . 0.0 111.825 -177.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -72.38 -16.54 61.85 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -84.77 -7.67 59.11 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 122.96 0.504 . . . . 0.0 109.909 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.9 mt -110.94 -45.05 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 122.301 0.241 . . . . 0.0 110.645 -173.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.469 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 77.9 mm-40 -69.09 0.88 4.07 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.4 -15.21 63.55 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.11 0.564 . . . . 0.0 112.059 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.9 12.97 0.05 OUTLIER Glycine 0 C--N 1.342 0.892 0 CA-C-O 119.311 -0.716 . . . . 0.0 114.076 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -152.8 -169.74 3.43 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.698 1.249 . . . . 0.0 110.957 -174.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 m -135.43 -2.05 2.51 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 122.622 0.369 . . . . 0.0 110.914 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.32 121.38 3.62 Favored Pre-proline 0 N--CA 1.454 -0.252 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -48.5 -31.04 17.22 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 124.371 3.381 . . . . 0.0 114.074 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -175.564 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C5'-C4'-C3' 111.119 -2.921 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 C4'-C3'-C2' 99.178 -3.522 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 C4'-C3'-C2' 99.163 -3.537 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.395 -3.305 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 C4'-C3'-C2' 98.904 -3.796 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C4'-C3'-C2' 99.664 -3.036 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 111.203 3.003 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 100.26 -2.44 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . 0.455 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.719 1 C5'-C4'-C3' 108.952 -4.366 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . 0.455 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 O4'-C1'-N19 110.931 2.731 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C3'-C2'-C1' 103.761 2.512 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C5'-C4'-C3' 110.918 -3.054 . 0.103 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 1 C5'-C4'-C3' 108.842 -4.439 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C5'-C4'-C3' 110.052 -3.632 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.375 -3.325 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 98.733 -3.967 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C4'-C3'-C2' 99.04 -3.66 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.828 -2.872 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.447 -3.253 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.466 -3.234 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.936 -2.764 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.537 ' HG2' HD11 ' C' ' 3' ' ' ILE . 9.0 tpp . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.777 -0.083 . . . . 0.0 110.777 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -119.53 106.0 11.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 169.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.537 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.9 mp -91.3 149.98 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 24.4 mt -143.2 168.41 19.83 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -145.12 112.18 6.0 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.532 ' HE ' HG21 ' C' ' 22' ' ' ILE . 0.0 OUTLIER -141.27 164.82 29.21 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.436 174.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -105.02 176.65 5.09 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -169.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.449 HG11 HG12 ' C' ' 25' ' ' VAL . 21.7 m -53.62 142.24 7.18 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.668 -175.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.66 -16.48 57.96 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.388 -0.673 . . . . 0.0 112.943 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -75.7 176.95 7.22 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.624 1.212 . . . . 0.0 111.164 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.7 m -144.4 159.49 42.64 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.313 0.645 . . . . 0.0 110.441 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.401 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 39.9 mm -143.68 164.88 14.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.025 1.33 . . . . 0.0 107.836 -176.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -140.07 154.53 47.09 Favored 'General case' 0 N--CA 1.457 -0.082 0 O-C-N 121.644 -0.66 . . . . 0.0 112.189 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -139.99 145.63 26.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 124.45 1.1 . . . . 0.0 108.787 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.38 -137.39 41.96 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -134.96 16.33 3.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.083 0.553 . . . . 0.0 109.915 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -142.67 9.55 1.78 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.755 0.822 . . . . 0.0 111.97 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.56 146.65 33.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 118.939 0.79 . . . . 0.0 110.866 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 60.5 m -138.47 154.71 48.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.189 0.996 . . . . 0.0 108.407 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.9 mm -136.52 147.07 27.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -141.34 137.74 32.59 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.532 HG21 ' HE ' ' C' ' 6' ' ' ARG . 2.4 tp -93.65 94.78 4.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.05 -24.89 61.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.834 -169.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.45 179.18 41.16 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.451 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.449 HG12 HG11 ' C' ' 8' ' ' VAL . 8.5 p -134.47 148.58 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.009 0.524 . . . . 0.0 109.616 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 63.0 m -146.02 67.0 1.2 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.363 1.065 . . . . 0.0 108.466 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.61 -137.16 25.48 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -65.71 -12.5 54.23 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 118.788 -0.625 . . . . 0.0 111.357 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -97.42 148.47 23.16 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 119.124 0.875 . . . . 0.0 109.45 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 26.7 t -135.59 142.68 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -109.37 127.59 54.46 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.27 154.25 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -170.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.45 154.54 20.05 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.0 mt -136.1 144.93 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -140.32 108.69 5.83 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.05 160.16 31.3 Favored Pre-proline 0 N--CA 1.451 -0.413 0 C-N-CA 123.596 0.758 . . . . 0.0 109.351 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -65.39 156.24 64.42 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.756 2.304 . . . . 0.0 110.834 175.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -68.53 -0.53 5.18 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-O 121.156 0.503 . . . . 0.0 110.149 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -66.41 -12.58 57.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.708 1.203 . . . . 0.0 110.133 172.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -138.59 169.44 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.845 1.258 . . . . 0.0 108.396 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.01 159.26 24.2 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.81 -0.557 . . . . 0.0 110.964 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.4 m -146.34 126.36 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -156.57 164.14 38.55 Favored 'General case' 0 CA--C 1.523 -0.069 0 O-C-N 122.299 -0.251 . . . . 0.0 110.328 175.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -64.96 156.74 30.21 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 171.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.77 -23.45 67.22 Favored 'General case' 0 C--N 1.333 -0.138 0 O-C-N 122.445 -0.159 . . . . 0.0 111.245 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.75 -47.22 63.83 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.824 0.345 . . . . 0.0 110.154 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.8 mm -72.94 -28.91 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.464 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 76.7 t80 -60.92 -36.66 79.87 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 122.881 0.472 . . . . 0.0 110.667 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -72.19 -18.33 61.86 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.075 -0.39 . . . . 0.0 111.688 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.07 -9.39 59.7 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 122.768 0.427 . . . . 0.0 110.315 174.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 89.5 mt -110.25 -45.75 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -174.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.464 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 45.3 mm-40 -68.55 0.71 3.77 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.14 -0.35 . . . . 0.0 111.879 -178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.78 -16.36 63.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.878 0.471 . . . . 0.0 111.924 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.56 14.5 0.06 OUTLIER Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.054 -0.859 . . . . 0.0 114.34 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -154.49 176.56 12.21 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 119.005 1.402 . . . . 0.0 112.843 -172.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 22.6 p -149.86 4.88 0.57 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.471 1.108 . . . . 0.0 110.712 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.08 76.6 7.12 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 123.563 0.745 . . . . 0.0 109.878 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.37 171.14 0.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 124.807 3.671 . . . . 0.0 114.356 178.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 CA--C 1.529 0.148 0 C-N-CA 123.831 0.853 . . . . 0.0 112.857 -178.085 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C4'-C3'-C2' 99.579 -3.121 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.209 -3.491 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.323 -3.377 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.528 -3.172 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 98.989 -3.711 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 C4'-C3'-C2' 99.352 -3.348 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.498 -3.202 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-N19 111.598 3.398 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.467 " H4'" ' OP1' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 C4'-C3'-O3' 116.896 2.421 OUTLIER-EPSILON 0.617 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . 0.467 ' OP1' " H4'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.403 1 P-O3'-C3' 125.769 5.058 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 N19-C1'-C2' 109.354 -2.529 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 C5'-C4'-C3' 109.605 -3.93 . 0.125 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 1 C5'-C4'-C3' 105.776 -6.483 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . 0.462 " H5'" HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.422 -2.617 1 P-O3'-C3' 125.484 4.82 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 98.751 -3.949 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 1 C4'-C3'-C2' 98.383 -4.317 . 0.587 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.107 -3.593 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.885 -2.815 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C4'-C3'-C2' 99.707 -2.993 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 99.425 -3.275 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.645 -3.055 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 2' ' ' LEU . 14.8 tpp . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.893 -0.04 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.2 tm? -125.54 108.1 11.27 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 169.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.447 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.3 mp -102.38 143.46 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.075 0 C-N-CA 123.583 0.753 . . . . 0.0 110.021 -175.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.13 169.89 20.08 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.044 0.537 . . . . 0.0 110.674 174.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.6 p -105.42 157.93 17.0 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.454 0.645 . . . . 0.0 111.335 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -148.41 163.88 35.8 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 176.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -120.6 157.64 29.08 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.387 0.613 . . . . 0.0 110.009 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.4 m -53.4 127.1 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.247 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.93 8.57 53.94 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 119.532 -0.593 . . . . 0.0 112.843 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -118.58 -176.74 3.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.163 0.982 . . . . 0.0 110.189 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.1 m -140.39 168.11 20.57 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -172.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' C' ' 44' ' ' ARG . 35.7 mm -141.33 162.98 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 126.627 1.971 . . . . 0.0 106.699 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -139.15 154.85 48.15 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.971 0.805 . . . . 0.0 112.284 -177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.7 mt -140.42 145.49 25.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 124.054 0.942 . . . . 0.0 108.654 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.7 -139.26 32.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -132.77 16.57 4.29 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.359 0.663 . . . . 0.0 110.065 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -142.06 8.85 1.88 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.812 0.845 . . . . 0.0 111.689 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.54 146.48 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 119.021 0.828 . . . . 0.0 110.797 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -139.86 155.74 47.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -137.54 146.4 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -136.33 150.17 48.74 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -110.81 91.26 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.23 -26.2 63.74 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.496 -168.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.91 -177.86 39.55 Favored Glycine 0 C--N 1.336 0.583 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.633 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 m -124.95 161.32 28.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.262 0.554 . . . . 0.0 110.534 176.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 m -151.19 63.93 0.9 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.94 -133.32 20.55 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.5 -18.59 65.43 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.118 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -86.87 148.77 25.22 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.0 t -140.23 129.0 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -90.95 129.99 36.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -134.42 155.25 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -170.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 156.69 21.76 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.4 mt -138.13 145.76 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -142.24 110.54 6.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.69 158.75 33.11 Favored Pre-proline 0 N--CA 1.452 -0.368 0 C-N-CA 123.614 0.765 . . . . 0.0 109.35 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.56 150.49 86.55 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.207 2.605 . . . . 0.0 110.406 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -64.45 -5.0 4.49 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 122.368 -0.207 . . . . 0.0 110.588 175.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -66.15 -7.04 15.54 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.393 0.677 . . . . 0.0 110.742 173.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -137.33 167.46 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.32 159.34 27.63 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.951 -0.468 . . . . 0.0 111.144 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.05 131.76 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -156.03 160.16 39.77 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.7 ptt85 -68.79 156.4 38.41 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 172.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.0 -24.11 56.87 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -169.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.49 -40.64 66.76 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.397 -0.814 . . . . 0.0 110.992 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.64 -31.34 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.465 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 73.1 t80 -59.42 -39.83 84.75 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.683 0.393 . . . . 0.0 111.501 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.15 -15.71 63.47 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -85.97 -9.27 57.14 Favored 'General case' 0 C--N 1.34 0.171 0 O-C-N 121.961 -0.462 . . . . 0.0 110.556 175.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.417 ' HA ' HD11 ' A' ' 55' ' ' LEU . 91.9 mt -110.2 -37.7 3.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 C-N-CA 122.425 0.29 . . . . 0.0 111.262 -173.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 66.8 mm-40 -75.55 0.67 16.56 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.3 -0.25 . . . . 0.0 111.413 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.23 -16.29 64.21 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.867 0.467 . . . . 0.0 112.114 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.04 18.72 0.08 OUTLIER Glycine 0 CA--C 1.527 0.819 0 CA-C-O 119.19 -0.783 . . . . 0.0 113.915 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 51' ' ' ILE . 3.2 pp -149.5 28.9 0.78 Allowed 'General case' 0 C--N 1.338 0.091 0 CA-C-N 118.657 1.229 . . . . 0.0 113.721 -171.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.4 m -64.36 -6.66 7.51 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.766 -0.584 . . . . 0.0 111.559 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.19 69.69 11.74 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 123.94 0.896 . . . . 0.0 109.037 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -50.4 -40.67 53.28 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 124.408 3.405 . . . . 0.0 113.899 -173.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.9 t70 . . . . . 0 CA--C 1.534 0.34 0 C-N-CA 122.905 0.482 . . . . 0.0 110.832 -175.095 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.889 -2.811 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.206 -3.494 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 C4'-C3'-C2' 99.327 -3.373 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 111.476 3.276 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 98.942 -3.758 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 C4'-C3'-C2' 98.998 -3.702 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 O4'-C1'-N19 111.459 3.259 . 0.623 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.404 0 C4'-C3'-C2' 99.507 -3.193 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . 0.446 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.587 2 C3'-C2'-C1' 105.472 4.413 OUTLIER-DELTA 0.078 1t . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . 0.446 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 C4'-C3'-C2' 100.032 -2.668 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.775 0 N19-C1'-C2' 109.43 -2.481 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . 0.413 ' C6 ' " H1'" ' B' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.385 0 C5'-C4'-C3' 110.833 -3.111 . 0.147 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.995 1 C5'-C4'-C3' 108.743 -4.504 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . 0.413 " H1'" ' C6 ' ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C5'-C4'-C3' 110.289 -3.474 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.409 -3.291 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 98.856 -3.844 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.065 -3.635 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C4'-C3'-C2' 99.739 -2.961 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C4'-C3'-C2' 99.517 -3.183 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.578 -3.122 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 C4'-C3'-C2' 99.928 -2.772 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.564 ' HG2' HD11 ' C' ' 3' ' ' ILE . 6.8 tpp . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 110.767 -0.086 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.405 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.2 tm? -124.96 108.05 11.47 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 172.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.564 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.4 mp -96.54 151.25 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.728 1.211 . . . . 0.0 110.083 -172.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.467 ' HA ' ' C2 ' ' D' ' 63' ' ' ' A' . 38.4 mt -147.36 173.05 12.97 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.595 1.158 . . . . 0.0 111.268 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p -129.46 120.19 25.03 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 167.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 3.4 tpm_? -125.81 132.2 52.3 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -81.24 156.85 25.4 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.522 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.653 HG11 HG12 ' C' ' 25' ' ' VAL . 17.2 m -55.24 129.82 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.701 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.96 2.5 58.25 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.31 -0.717 . . . . 0.0 112.918 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -110.55 179.7 4.0 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.517 1.158 . . . . 0.0 110.752 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.8 m -137.81 171.49 14.35 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -170.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.424 HG22 ' N ' ' C' ' 13' ' ' ASN . 62.4 mt -152.9 166.28 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 127.015 2.126 . . . . 0.0 107.4 -170.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . 0.424 ' N ' HG22 ' C' ' 12' ' ' ILE . 18.7 m120 -142.39 154.73 44.87 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -140.33 145.72 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 114.662 -1.153 . . . . 0.0 108.611 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.97 -138.57 42.16 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -133.91 15.77 3.91 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.032 0.533 . . . . 0.0 110.048 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -142.23 9.74 1.88 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.553 0.741 . . . . 0.0 111.595 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.0 146.82 32.98 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.952 0.796 . . . . 0.0 110.889 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 40.7 m -136.04 153.44 51.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -137.4 147.42 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.9 m -140.7 148.1 40.26 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -107.43 85.57 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.5 mt -63.47 -25.23 68.17 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -167.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.27 -174.84 44.34 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.218 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.653 HG12 HG11 ' C' ' 8' ' ' VAL . 7.9 p -141.59 142.81 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.166 0.986 . . . . 0.0 109.292 -175.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.6 m -148.44 70.51 1.13 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.935 0.894 . . . . 0.0 108.616 -175.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.77 -138.76 28.98 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 108.801 -1.72 . . . . 0.0 108.801 -175.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.49 -16.49 64.16 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 118.808 -0.615 . . . . 0.0 110.973 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.64 149.36 25.38 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 52.9 t -141.5 142.51 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -111.39 128.88 56.11 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.6 154.94 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.81 -169.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.35 154.94 21.45 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.0 mt -136.45 144.7 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -138.89 106.72 5.65 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.11 160.93 30.73 Favored Pre-proline 0 N--CA 1.452 -0.357 0 C-N-CA 123.702 0.801 . . . . 0.0 109.426 -177.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -65.35 155.55 68.06 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.952 2.435 . . . . 0.0 110.601 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -68.05 -0.53 4.57 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 122.116 -0.365 . . . . 0.0 110.244 172.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.26 -11.71 51.98 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.434 1.094 . . . . 0.0 110.199 173.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -138.53 169.34 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.681 1.192 . . . . 0.0 108.258 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.51 158.83 26.43 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.172 -0.33 . . . . 0.0 111.065 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.1 m -146.13 130.22 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.074 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -157.98 171.0 21.04 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 122.112 -0.368 . . . . 0.0 110.531 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.409 ' HA ' HD13 ' A' ' 12' ' ' ILE . 76.9 mtm180 -68.1 156.92 36.41 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 170.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -59.69 -25.31 64.66 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.046 0.451 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.72 -48.21 55.73 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.353 0.661 . . . . 0.0 111.06 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -74.63 -27.14 20.51 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.13 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -176.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.465 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 85.2 t80 -59.96 -35.64 75.41 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.578 0.751 . . . . 0.0 111.752 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.87 -18.06 63.39 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.033 -0.417 . . . . 0.0 112.052 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -84.96 -8.23 58.83 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 122.732 0.413 . . . . 0.0 110.167 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 86.3 mt -110.65 -44.44 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 122.44 0.296 . . . . 0.0 110.6 -172.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.465 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 61.8 mm-40 -67.97 0.03 3.91 Favored 'General case' 0 C--O 1.233 0.185 0 O-C-N 122.208 -0.307 . . . . 0.0 111.373 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.81 -16.66 64.01 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.273 0.629 . . . . 0.0 111.555 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.15 17.96 0.09 OUTLIER Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.122 -0.821 . . . . 0.0 113.962 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -155.58 -178.47 7.3 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.021 1.41 . . . . 0.0 112.709 -173.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 21.0 p -144.64 7.15 1.26 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.518 1.127 . . . . 0.0 110.142 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.09 85.14 4.72 Favored Pre-proline 0 N--CA 1.449 -0.496 0 C-N-CA 124.291 1.036 . . . . 0.0 108.393 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -43.41 137.8 5.33 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 124.363 3.376 . . . . 0.0 113.627 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 CA--C 1.532 0.287 0 C-N-CA 125.285 1.434 . . . . 0.0 114.163 178.05 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.998 -2.702 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 99.529 -3.171 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.397 0 C4'-C3'-C2' 99.116 -3.584 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 C4'-C3'-C2' 99.128 -3.572 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C4'-C3'-C2' 99.196 -3.504 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 C4'-C3'-C2' 99.3 -3.4 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . 0.431 " H2'" ' C6 ' ' D' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 O4'-C1'-N19 110.82 2.62 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . 0.431 ' C6 ' " H2'" ' D' ' 61' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.827 -2.873 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.467 ' C2 ' ' HA ' ' C' ' 4' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 O4'-C1'-N19 111.849 3.649 . 0.456 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 1 C5'-C4'-C3' 109.495 -4.003 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 O4'-C1'-N19 112.065 3.865 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.314 0 C5'-C4'-C3' 109.857 -3.762 . 0.597 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 1 C5'-C4'-C3' 105.392 -6.739 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . 0.546 " H5'" HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.723 1 P-O3'-C3' 125.863 5.136 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.475 -3.225 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.423 0 C4'-C3'-C2' 98.716 -3.984 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.037 -3.663 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.663 -3.037 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.501 -3.199 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.449 -3.251 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 110.721 2.521 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.587 ' HG2' HD11 ' A' ' 3' ' ' ILE . 8.0 tpp . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 120.499 0.19 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.0 tm? -128.28 109.97 11.96 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 171.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.587 HD11 ' HG2' ' A' ' 1' ' ' MET . 4.9 mp -104.16 144.25 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.242 1.017 . . . . 0.0 110.094 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -162.1 -178.73 6.58 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.142 0.577 . . . . 0.0 110.216 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -119.28 155.39 31.88 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.946 0.879 . . . . 0.0 111.053 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.404 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 4.7 tpm_? -148.82 163.85 36.17 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 177.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -134.75 166.57 22.65 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 119.582 1.083 . . . . 0.0 110.984 169.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.467 HG11 HG12 ' A' ' 25' ' ' VAL . 19.6 m -47.16 133.5 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 123.731 0.644 . . . . 0.0 112.462 -171.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.6 0.24 72.95 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.285 -0.73 . . . . 0.0 113.519 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -103.16 -178.61 3.71 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.493 1.147 . . . . 0.0 110.242 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -140.16 168.05 20.7 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -174.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.2 mt -143.83 162.82 15.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 125.923 1.689 . . . . 0.0 107.432 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -137.59 155.9 48.68 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.462 0.649 . . . . 0.0 111.443 -176.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.1 mt -142.88 140.8 27.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.395 1.078 . . . . 0.0 108.921 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.26 -135.51 44.18 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -177.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -136.5 16.28 3.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.183 0.593 . . . . 0.0 110.267 176.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -139.61 6.85 2.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.272 0.629 . . . . 0.0 111.573 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -129.62 146.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 CA-C-N 118.822 0.737 . . . . 0.0 110.368 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.8 m -138.81 154.86 48.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.0 mm -137.65 149.7 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -141.82 151.97 43.27 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -111.09 86.09 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.08 -25.9 68.0 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.381 -169.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.12 179.22 41.55 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.585 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.467 HG12 HG11 ' A' ' 8' ' ' VAL . 10.3 p -135.01 146.31 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -145.65 71.65 1.28 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.489 1.116 . . . . 0.0 108.168 -176.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.32 -136.7 23.95 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -175.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -67.67 -14.27 62.8 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.797 -0.621 . . . . 0.0 111.086 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.41 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 2.9 tp-100 -85.37 148.73 25.87 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.862 0.755 . . . . 0.0 109.533 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.4 t -142.09 126.09 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.0 ttm-85 -95.22 131.35 41.37 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -130.28 149.96 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.76 -169.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.36 148.93 18.87 Favored Glycine 0 C--N 1.332 0.345 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -137.62 143.82 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -144.55 104.87 4.1 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.58 159.18 36.84 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.311 0.644 . . . . 0.0 109.849 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.01 152.8 79.63 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.776 2.317 . . . . 0.0 110.592 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -69.4 -1.89 9.56 Favored 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.066 -0.396 . . . . 0.0 110.772 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -69.42 -7.59 39.09 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.812 0.845 . . . . 0.0 110.763 172.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.33 169.03 20.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.03 155.38 23.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.119 -0.363 . . . . 0.0 111.052 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -145.94 124.39 4.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.041 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.401 ' CE1' ' H22' ' D' ' 64' ' ' ' G' . 21.6 m-70 -157.8 170.27 22.74 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 122.14 -0.35 . . . . 0.0 110.124 177.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.476 ' HA ' HD13 ' C' ' 12' ' ' ILE . 49.4 ptt85 -83.08 159.18 22.18 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -54.53 -32.79 58.87 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -169.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.79 -28.06 63.36 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.974 -0.454 . . . . 0.0 112.048 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -87.55 -27.68 5.67 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 52' ' ' GLN . 77.3 t80 -60.18 -32.72 71.34 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.028 0.531 . . . . 0.0 111.874 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -72.67 -14.68 61.64 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 121.738 -0.601 . . . . 0.0 112.294 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -86.06 -10.03 55.68 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.815 0.446 . . . . 0.0 110.973 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -110.35 -58.68 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 C-N-CA 122.593 0.357 . . . . 0.0 110.63 -173.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 48' ' ' TYR . 13.0 mp0 -67.64 0.52 3.11 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.113 0.565 . . . . 0.0 112.418 -177.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.31 -16.44 54.13 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.104 0.562 . . . . 0.0 111.784 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.08 9.46 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 CA-C-O 119.582 -0.566 . . . . 0.0 113.841 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -152.98 -169.28 3.29 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.268 1.034 . . . . 0.0 110.998 -174.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.6 m -134.4 -3.68 2.68 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.477 0.311 . . . . 0.0 110.933 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.52 120.4 3.74 Favored Pre-proline 0 C--O 1.234 0.246 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -49.25 -32.03 24.06 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.026 3.151 . . . . 0.0 114.291 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -175.669 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.975 -2.725 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C4'-C3'-C2' 99.086 -3.614 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.489 -3.211 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 O4'-C1'-N19 111.441 3.241 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 98.737 -3.963 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.463 -3.237 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 O4'-C1'-N19 111.028 2.828 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 100.436 -2.264 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . 0.453 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.807 1 C5'-C4'-C3' 109.342 -4.105 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . 0.453 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-C3' 111.571 -2.62 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 O4'-C1'-N19 110.629 2.429 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C5'-C4'-C3' 111.61 -2.594 . 0.169 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 1 C5'-C4'-C3' 105.27 -6.82 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.945 1 P-O3'-C3' 125.656 4.964 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 99.193 -3.507 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 98.834 -3.866 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.436 0 C4'-C3'-C2' 99.239 -3.461 . 0.528 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 100.023 -2.677 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.315 3.115 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.325 -3.375 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 99.816 -2.884 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 35.3 mmm . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 120.929 0.395 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -135.74 114.63 12.1 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 167.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.32 142.11 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.212 -172.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.1 174.84 12.41 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.065 0.546 . . . . 0.0 110.882 176.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.8 p -116.25 156.88 25.8 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.764 0.793 . . . . 0.0 111.071 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.451 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.5 OUTLIER -146.03 164.89 30.66 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.399 1.48 . . . . 0.0 107.741 175.009 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 42.6 mtmt -116.18 165.15 13.48 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.561 172.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.9 m -58.12 131.91 22.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.465 -175.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.55 -13.52 61.14 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.637 0.637 . . . . 0.0 111.921 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -86.2 179.56 6.9 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.051 0.925 . . . . 0.0 110.921 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.6 m -140.18 168.33 20.06 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.519 0.676 . . . . 0.0 112.553 -175.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 44' ' ' ARG . 29.0 mm -140.09 161.47 25.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 126.492 1.917 . . . . 0.0 106.943 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -138.3 154.1 49.01 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 121.747 -0.596 . . . . 0.0 111.607 -177.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -142.27 143.8 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.57 -138.83 36.43 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -133.4 16.42 4.05 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.292 0.637 . . . . 0.0 110.263 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -141.76 8.45 1.92 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.696 0.798 . . . . 0.0 111.833 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.57 145.1 36.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 CA-C-N 119.044 0.838 . . . . 0.0 110.873 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 76.2 m -140.84 155.54 46.32 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.31 1.044 . . . . 0.0 108.588 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 mm -137.35 147.45 26.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -140.43 128.95 22.76 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.985 0.357 . . . . 0.0 110.285 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -82.82 96.9 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.97 -26.73 62.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -171.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.78 -176.6 40.57 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.49 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -128.48 161.49 37.08 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.332 0.587 . . . . 0.0 110.66 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.0 m -151.32 72.14 1.03 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.81 -136.63 23.21 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 -174.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.53 -20.36 66.31 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.2 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -76.65 150.08 36.42 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.88 119.23 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -89.58 131.87 35.38 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -135.22 152.26 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -172.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.67 157.0 18.88 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' MET . 66.0 mt -138.9 144.93 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -176.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -141.62 108.04 5.29 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.4 159.17 33.06 Favored Pre-proline 0 N--CA 1.451 -0.401 0 C-N-CA 123.883 0.873 . . . . 0.0 108.824 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.51 151.69 84.11 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 122.623 2.215 . . . . 0.0 110.339 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -68.3 -2.05 7.52 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.226 -0.296 . . . . 0.0 110.376 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.27 -7.17 34.51 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.114 0.966 . . . . 0.0 110.663 172.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.89 168.46 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.946 0.898 . . . . 0.0 108.595 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.63 156.32 26.06 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 122.327 -0.233 . . . . 0.0 111.317 -174.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.3 m -144.79 125.99 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.068 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -159.2 164.17 35.33 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.88 0.372 . . . . 0.0 110.854 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -66.14 159.65 25.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -57.35 -32.52 66.84 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.406 0.283 . . . . 0.0 111.433 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -69.64 -45.69 67.88 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 120.368 0.128 . . . . 0.0 111.238 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.2 -30.87 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -57.78 -25.29 60.31 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.715 0.806 . . . . 0.0 111.94 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -71.06 -14.46 62.33 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.177 -0.327 . . . . 0.0 111.483 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . 0.508 ' C ' HD12 ' C' ' 51' ' ' ILE . 10.7 mpt_? -82.19 -6.63 59.35 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.659 -0.651 . . . . 0.0 109.997 176.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.508 HD12 ' C ' ' C' ' 50' ' ' ARG . 1.5 mp -110.45 -12.94 11.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.759 0.824 . . . . 0.0 109.276 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -119.55 -14.78 9.08 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.571 0.749 . . . . 0.0 112.955 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -141.78 0.08 1.39 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.37 42.36 0.43 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.749 HD22 ' H ' ' C' ' 55' ' ' LEU . 0.9 OUTLIER -32.05 133.51 0.1 Allowed 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 126.102 1.761 . . . . 0.0 112.931 -172.795 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 67.3 p -76.71 166.33 23.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.628 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 35.12 58.13 2.45 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 124.805 1.242 . . . . 0.0 113.364 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -47.56 -37.4 26.48 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 124.049 3.166 . . . . 0.0 114.019 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 39.2 t70 . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 122.812 0.445 . . . . 0.0 111.459 -175.486 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C5'-C4'-C3' 111.258 -2.828 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.06 -3.64 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.395 -3.305 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 O4'-C1'-N19 111.763 3.563 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 98.966 -3.734 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 C4'-C3'-C2' 99.124 -3.576 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 O4'-C1'-N19 111.363 3.163 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 O4'-C1'-N19 111.558 3.358 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.503 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 O4'-C1'-N19 111.51 3.31 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . 0.503 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C5'-C4'-C3' 111.186 -2.876 . 0.039 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 N19-C1'-C2' 109.692 -2.318 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 C5'-C4'-C3' 112.303 -2.132 . 0.138 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.857 1 C5'-C4'-C3' 104.655 -7.23 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 1 P-O3'-C3' 125.733 5.028 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.112 -3.588 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C4'-C3'-C2' 98.653 -4.047 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 C4'-C3'-C2' 99.335 -3.365 . 0.546 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.891 -2.809 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 99.629 -3.071 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.322 -3.378 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 C4'-C3'-C2' 99.81 -2.89 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ttp . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.45 128.16 52.91 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.495 HD11 " H5'" ' B' ' 67' ' ' ' C' . 4.5 mp -130.67 141.69 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 C-N-CA 123.43 0.692 . . . . 0.0 109.71 -171.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.24 169.69 21.71 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.504 176.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 p -108.56 153.03 23.94 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.252 0.549 . . . . 0.0 110.254 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 8.5 mmp_? -144.35 164.83 29.66 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.142 1.377 . . . . 0.0 107.891 175.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' C' ' 29' ' ' GLN . 40.3 mtmt -119.69 160.66 22.1 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 120.728 0.299 . . . . 0.0 110.774 176.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.2 m -55.45 121.66 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.537 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.67 -17.97 27.5 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.771 0.7 . . . . 0.0 112.492 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.59 175.86 10.15 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 118.438 1.119 . . . . 0.0 111.22 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -138.85 168.74 19.16 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 121.55 0.69 . . . . 0.0 111.666 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 12' ' ' ILE . 14.0 mt -143.51 169.67 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 C-N-CA 125.309 1.444 . . . . 0.0 107.238 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -140.81 150.91 43.92 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 118.179 0.445 . . . . 0.0 110.801 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -146.0 142.73 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 123.395 0.678 . . . . 0.0 110.45 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.15 12.98 8.5 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-O 119.229 -0.762 . . . . 0.0 114.83 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.3 t70 58.33 10.67 1.37 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -139.72 5.21 2.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.323 0.649 . . . . 0.0 110.711 176.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.03 146.17 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 m -136.62 151.06 48.91 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -133.07 149.33 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -144.23 124.28 13.61 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -77.46 95.29 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.82 -28.0 65.34 Favored 'General case' 0 C--O 1.23 0.073 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -172.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.23 -176.9 40.82 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.512 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -128.73 161.89 36.82 Favored 'Isoleucine or valine' 0 C--O 1.23 0.073 0 CA-C-O 121.396 0.617 . . . . 0.0 110.306 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.0 m -151.3 74.66 1.15 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.17 -140.17 29.36 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 108.191 -1.964 . . . . 0.0 108.191 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -67.48 -12.28 59.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 117.615 0.707 . . . . 0.0 111.762 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.95 149.36 30.86 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -141.46 120.48 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -90.84 133.75 34.98 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.16 151.72 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -172.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.93 148.09 18.36 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -137.85 144.54 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -143.14 103.99 4.22 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -176.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.36 158.76 43.46 Favored Pre-proline 0 C--O 1.233 0.235 0 C-N-CA 123.989 0.916 . . . . 0.0 109.895 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.77 151.78 81.83 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.97 2.446 . . . . 0.0 110.308 174.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -69.48 -1.48 8.69 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.789 -0.57 . . . . 0.0 110.575 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.49 -10.74 57.52 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.895 0.878 . . . . 0.0 110.504 171.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.6 m -133.42 168.86 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.87 160.66 29.31 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.157 -0.339 . . . . 0.0 111.59 -173.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 m -144.93 129.65 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -157.68 165.35 35.69 Favored 'General case' 0 C--N 1.339 0.121 0 O-C-N 121.813 -0.555 . . . . 0.0 110.289 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -59.94 152.85 22.6 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 171.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -60.91 -31.46 70.97 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 122.031 -0.418 . . . . 0.0 110.796 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -78.75 -20.58 49.58 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.4 mm -90.49 -26.37 5.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.137 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -62.34 -38.02 87.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.953 0.901 . . . . 0.0 111.225 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.3 -17.63 64.32 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -79.0 -12.83 60.05 Favored 'General case' 0 N--CA 1.461 0.077 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.668 ' HA ' HD12 ' A' ' 55' ' ' LEU . 95.4 mt -110.39 -34.7 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 123.22 0.608 . . . . 0.0 111.526 -173.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -71.72 1.52 6.71 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.434 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.34 -12.47 61.13 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.074 0.949 . . . . 0.0 111.399 174.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.17 -0.53 1.56 Allowed Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.593 -0.559 . . . . 0.0 113.335 174.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 51' ' ' ILE . 24.6 mt -78.31 -7.9 57.78 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-N 118.361 1.081 . . . . 0.0 113.399 -173.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -68.14 -16.04 63.83 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -173.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.56 74.07 3.24 Favored Pre-proline 0 N--CA 1.454 -0.25 0 C-N-CA 123.132 0.573 . . . . 0.0 110.46 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -49.28 -39.01 43.17 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 124.05 3.166 . . . . 0.0 112.935 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 CA--C 1.531 0.231 0 C-N-CA 122.881 0.472 . . . . 0.0 110.23 -178.206 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.744 -2.956 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.071 -3.629 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.377 -3.323 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 99.484 -3.216 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C4'-C3'-C2' 99.01 -3.69 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 98.998 -3.702 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 O4'-C1'-N19 111.648 3.448 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 O4'-C1'-N19 111.112 2.912 . 0.611 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . 0.428 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 O4'-C1'-N19 111.177 2.977 . 0.47 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . 0.428 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 99.233 -3.467 . 0.024 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.748 0 O4'-C1'-N19 110.764 2.564 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . 0.629 " H2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 C3'-C2'-C1' 104.778 3.643 . 0.568 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . 0.629 H5'' " H2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.38 2 O5'-C5'-C4' 118.856 6.183 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . 0.538 " C5'" " H4'" ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.927 1 P-O3'-C3' 124.894 4.329 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.159 -3.541 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 1 C4'-C3'-C2' 98.601 -4.099 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.246 -3.454 . 0.55 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.631 -3.069 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.637 -3.063 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C4'-C3'-C2' 99.142 -3.558 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.896 -2.804 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mmm . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.29 112.69 10.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 168.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -101.7 150.92 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.548 HD13 ' H ' ' C' ' 5' ' ' THR . 0.2 OUTLIER -155.74 162.54 40.51 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.933 0.493 . . . . 0.0 109.679 -172.182 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.548 ' H ' HD13 ' C' ' 4' ' ' LEU . 2.0 p -126.86 146.06 50.42 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 123.095 0.558 . . . . 0.0 110.135 171.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.469 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -143.66 169.02 18.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 174.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -118.84 161.79 19.57 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -55.22 129.12 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.939 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.04 -12.97 59.01 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 123.651 0.643 . . . . 0.0 112.649 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -88.04 175.34 7.8 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 118.218 1.009 . . . . 0.0 111.079 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -140.86 168.11 20.58 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -173.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.0 mt -142.3 165.53 16.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 126.43 1.892 . . . . 0.0 106.877 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -134.58 154.06 51.66 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 118.398 0.545 . . . . 0.0 110.376 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -139.94 143.98 29.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 123.888 0.875 . . . . 0.0 109.082 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.49 -131.31 51.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -136.98 10.6 3.07 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -145.13 10.32 1.3 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.338 0.655 . . . . 0.0 112.006 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.73 146.28 34.39 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 CA-C-N 118.963 0.802 . . . . 0.0 110.212 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -137.89 155.97 48.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -136.29 146.22 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.1 m -144.84 130.64 19.13 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.931 0.396 . . . . 0.0 110.169 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -82.98 95.16 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.01 -25.74 63.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -172.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.34 -179.95 40.06 Favored Glycine 0 CA--C 1.525 0.705 0 O-C-N 122.143 -0.348 . . . . 0.0 112.322 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 17.1 m -131.57 163.93 35.88 Favored 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.382 0.611 . . . . 0.0 110.647 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -151.23 67.81 0.92 Allowed 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.1 -133.8 15.71 Favored Glycine 0 C--N 1.336 0.551 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -65.66 -15.49 62.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 119.028 -0.511 . . . . 0.0 110.77 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 2.8 tp-100 -86.19 146.89 26.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 118.626 0.648 . . . . 0.0 109.314 177.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -141.88 125.05 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 ttm-85 -95.05 129.08 42.28 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.67 154.66 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -171.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.35 149.52 17.49 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -135.19 137.75 49.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -137.19 104.86 5.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -172.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.73 161.98 29.76 Favored Pre-proline 0 C--O 1.234 0.264 0 C-N-CA 123.973 0.909 . . . . 0.0 109.867 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.09 153.83 76.4 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.912 2.408 . . . . 0.0 110.424 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -71.12 -1.02 10.97 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.857 -0.527 . . . . 0.0 110.297 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.29 -6.27 28.36 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.996 0.918 . . . . 0.0 110.498 171.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -136.43 168.14 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 124.005 0.922 . . . . 0.0 108.527 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.99 159.14 28.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 122.221 -0.299 . . . . 0.0 111.276 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -145.24 131.23 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -159.97 167.49 27.85 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.206 0.457 . . . . 0.0 111.644 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -60.44 152.18 26.27 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 169.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.32 -24.98 65.44 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.213 -0.305 . . . . 0.0 111.491 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -75.14 -48.42 23.79 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.939 -0.476 . . . . 0.0 110.727 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.93 -25.97 38.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -58.45 -52.64 64.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 122.823 0.449 . . . . 0.0 109.892 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.51 -16.33 35.95 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -172.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -79.95 -1.98 41.86 Favored 'General case' 0 C--N 1.337 0.05 0 CA-C-N 118.146 0.43 . . . . 0.0 110.985 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.43 ' HA ' HD11 ' C' ' 55' ' ' LEU . 70.5 mt -113.0 -78.74 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -173.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.744 ' H ' ' NE2' ' C' ' 52' ' ' GLN . 0.0 OUTLIER -64.87 4.23 0.45 Allowed 'General case' 0 C--O 1.232 0.134 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 -173.12 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.48 -9.66 36.64 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 122.088 -0.382 . . . . 0.0 111.206 171.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.07 0.21 0.03 OUTLIER Glycine 0 C--N 1.341 0.838 0 CA-C-O 119.514 -0.603 . . . . 0.0 113.824 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.43 HD11 ' HA ' ' C' ' 51' ' ' ILE . 2.4 pp -156.33 173.01 17.5 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.563 1.181 . . . . 0.0 111.047 -177.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 25.1 m -151.84 -21.98 0.19 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.276 0.23 . . . . 0.0 111.181 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.56 71.66 6.07 Favored Pre-proline 0 CA--C 1.531 0.225 0 O-C-N 122.18 -0.325 . . . . 0.0 111.092 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -53.67 -170.64 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 125.241 3.961 . . . . 0.0 115.612 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 N--CA 1.45 -0.46 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.088 -172.498 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.784 -2.916 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.238 -3.462 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.432 -3.268 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 C4'-C3'-C2' 99.242 -3.458 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.37 -3.33 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 C4'-C3'-C2' 99.21 -3.49 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 O4'-C1'-N19 111.544 3.344 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.859 0 C4'-C3'-C2' 99.987 -2.713 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.404 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.943 1 C3'-C2'-C1' 105.133 4.037 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . 0.404 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.946 0 C4'-C3'-C2' 100.019 -2.681 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 N19-C1'-C2' 109.628 -2.357 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . 0.408 ' C6 ' " H1'" ' D' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 C5'-C4'-C3' 111.322 -2.785 . 0.308 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 1 C5'-C4'-C3' 106.983 -5.678 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . 0.408 " H1'" ' C6 ' ' D' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C5'-C4'-C3' 110.386 -3.409 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.347 -3.353 . 0.368 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 98.98 -3.72 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.29 -3.41 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.684 -3.016 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.614 -3.086 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.335 -3.365 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 O4'-C1'-N19 111.059 2.859 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HE1' ' HA3' ' C' ' 33' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 119.8 -0.143 . . . . 0.0 111.049 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -129.37 113.12 14.56 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.423 HD11 " H5'" ' B' ' 67' ' ' ' C' . 4.8 mp -111.5 137.48 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.813 0.845 . . . . 0.0 109.227 -172.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -160.69 175.67 12.38 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.56 0.344 . . . . 0.0 111.019 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 p -117.65 152.41 35.24 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.308 0.575 . . . . 0.0 111.821 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.88 167.82 21.41 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 126.497 1.919 . . . . 0.0 107.055 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -119.81 161.89 20.02 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HA ' HG13 ' A' ' 22' ' ' ILE . 31.2 m -57.82 133.08 22.7 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.568 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.35 5.66 59.08 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 119.436 -0.647 . . . . 0.0 112.265 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -111.34 176.52 4.99 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.363 1.081 . . . . 0.0 110.895 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.5 m -136.96 169.05 18.42 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.15 167.73 11.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 125.785 1.634 . . . . 0.0 107.559 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -141.82 154.15 45.0 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.184 0.516 . . . . 0.0 111.065 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -140.0 139.04 37.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.66 -131.19 46.8 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.306 -1.517 . . . . 0.0 109.306 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -140.64 19.06 2.35 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.391 0.676 . . . . 0.0 109.203 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -141.17 6.27 1.94 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.125 0.57 . . . . 0.0 111.771 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.63 145.81 34.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.173 0 CA-C-N 118.528 0.604 . . . . 0.0 110.512 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.7 m -139.92 152.32 46.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 mm -136.6 149.37 26.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.7 m -144.25 128.02 17.26 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.7 tp -80.13 95.08 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 175.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.77 -27.95 65.35 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.77 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.02 -176.43 39.28 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.148 -0.549 . . . . 0.0 112.803 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.2 m -133.19 162.4 39.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 121.099 0.476 . . . . 0.0 111.254 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -150.52 75.79 1.23 Allowed 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.4 -107.85 3.14 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.424 HE21 ' CG2' ' C' ' 8' ' ' VAL . 14.5 mm100 -95.96 -12.22 25.38 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 172.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -71.57 153.71 41.96 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.324 0.583 . . . . 0.0 109.74 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 t -146.49 104.64 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm-85 -78.96 133.89 36.85 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -132.16 148.05 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.35 149.41 18.59 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -138.63 144.82 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -144.4 104.01 4.03 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -176.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.3 157.76 33.76 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.153 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.61 151.45 82.76 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.612 2.875 . . . . 0.0 111.028 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -64.74 -6.13 7.32 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.834 -0.541 . . . . 0.0 111.019 175.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.83 -7.18 19.72 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.542 0.737 . . . . 0.0 110.523 174.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.16 166.64 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.99 154.45 38.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.898 -0.501 . . . . 0.0 110.957 -174.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.79 124.84 7.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 O-C-N 123.318 0.386 . . . . 0.0 110.047 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -157.32 159.78 37.85 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.888 -0.508 . . . . 0.0 110.729 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -64.47 151.08 45.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -57.27 -30.04 64.35 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -70.44 -41.1 73.3 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 121.914 -0.491 . . . . 0.0 111.038 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -73.22 -26.88 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.478 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 86.5 t80 -62.73 -34.81 77.95 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.493 0.717 . . . . 0.0 110.806 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -70.22 -18.24 63.16 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 122.01 -0.431 . . . . 0.0 111.883 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -83.76 -8.24 59.29 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.883 0.473 . . . . 0.0 109.966 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.7 mt -110.64 -43.6 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 122.398 0.279 . . . . 0.0 110.583 -174.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.478 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 62.3 mm-40 -68.42 0.5 3.89 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.35 -15.97 63.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.723 0.409 . . . . 0.0 111.911 176.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.27 14.72 0.06 OUTLIER Glycine 0 C--N 1.342 0.862 0 CA-C-O 119.102 -0.832 . . . . 0.0 114.537 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -154.3 -178.19 6.96 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.175 1.487 . . . . 0.0 112.306 -172.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.2 p -145.9 12.31 1.26 Allowed 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 124.079 0.952 . . . . 0.0 110.871 175.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.67 127.12 5.2 Favored Pre-proline 0 N--CA 1.45 -0.442 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.93 -38.91 24.32 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 124.276 3.317 . . . . 0.0 113.093 176.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 122.866 0.466 . . . . 0.0 110.941 -177.659 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.877 -2.823 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.303 -3.397 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.453 -3.247 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 111.378 3.178 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.242 -3.458 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.398 -3.302 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 O4'-C1'-N19 111.599 3.399 . 0.602 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 O4'-C1'-N19 111.591 3.391 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 O4'-C1'-N19 111.323 3.123 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O4'-C1'-N19 111.46 3.26 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.93 0 O4'-C1'-N19 111.13 2.93 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . 0.625 " H2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.315 0 C3'-C2'-C1' 104.724 3.582 . 0.518 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . 0.625 H5'' " H2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 O5'-C5'-C4' 118.913 6.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . 0.507 " H1'" ' C6 ' ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 C5'-C4'-C3' 108.979 -4.347 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 C4'-C3'-C2' 99.358 -3.342 . 0.591 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 1 C4'-C3'-C2' 98.569 -4.131 . 0.738 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.25 -3.45 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.981 -2.719 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 O4'-C1'-N19 111.433 3.233 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C4'-C3'-C2' 99.562 -3.138 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-C2' 99.897 -2.803 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mmm . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 120.737 0.303 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -135.55 113.13 10.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 169.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.38 143.03 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 123.247 0.619 . . . . 0.0 109.453 -174.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -160.72 172.33 17.26 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.131 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -108.76 154.62 21.79 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.895 0.855 . . . . 0.0 110.432 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.66 HH21 HG22 ' C' ' 22' ' ' ILE . 3.7 mtp180 -149.38 -178.76 6.59 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 114.332 -1.304 . . . . 0.0 108.457 171.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -145.65 168.28 21.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.708 175.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.424 ' CG2' HE21 ' A' ' 28' ' ' GLN . 15.6 m -53.59 127.82 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-O 121.009 0.433 . . . . 0.0 111.694 -172.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.72 -16.3 51.58 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 123.716 0.675 . . . . 0.0 113.271 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -82.47 178.05 8.42 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.156 0.978 . . . . 0.0 111.728 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 61.5 m -144.69 165.02 29.24 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.326 0.584 . . . . 0.0 112.266 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.436 ' CD1' HH11 ' C' ' 6' ' ' ARG . 37.2 mt -137.87 163.04 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 125.785 1.634 . . . . 0.0 108.223 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -131.95 147.16 52.45 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -143.81 141.37 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 122.934 0.494 . . . . 0.0 110.463 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.18 13.76 7.45 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 123.787 0.708 . . . . 0.0 114.348 172.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 t70 56.11 12.9 1.04 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.305 1.042 . . . . 0.0 113.756 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -139.63 5.86 2.23 Favored 'General case' 0 C--N 1.34 0.19 0 O-C-N 121.698 -0.626 . . . . 0.0 110.43 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.4 148.77 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -137.75 152.33 49.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.2 mm -132.14 148.87 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -142.01 151.35 42.39 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.66 HG22 HH21 ' C' ' 6' ' ' ARG . 3.1 tp -111.7 87.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.26 -24.66 67.38 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.61 -169.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.45 -176.26 37.12 Favored Glycine 0 C--N 1.338 0.685 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.505 174.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 13.1 m -127.23 163.74 29.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.055 0.455 . . . . 0.0 110.981 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -150.75 75.65 1.22 Allowed 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.49 -141.15 29.35 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 107.713 -2.155 . . . . 0.0 107.713 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -68.97 -11.66 60.94 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.961 175.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.52 149.02 31.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -141.27 122.84 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 -175.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 31.6 ttm-85 -90.8 125.14 35.62 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.88 154.14 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.361 -172.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.465 ' HA3' ' HE1' ' A' ' 1' ' ' MET . . . -122.34 151.83 16.88 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.2 mt -140.82 144.07 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -143.84 103.52 4.06 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -174.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.07 159.09 36.09 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.825 0.85 . . . . 0.0 109.801 -176.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.32 150.19 84.69 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.416 2.744 . . . . 0.0 110.351 173.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -64.7 -5.38 5.64 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.993 -0.442 . . . . 0.0 110.693 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -67.04 -7.21 21.02 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.618 0.767 . . . . 0.0 110.607 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.07 168.85 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.341 1.056 . . . . 0.0 108.517 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.51 155.81 32.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 122.269 -0.27 . . . . 0.0 111.342 -173.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 9.6 m -144.55 127.62 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.092 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -157.85 159.07 36.26 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -71.16 160.67 32.45 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.125 173.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -56.77 -23.47 43.3 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.518 0.727 . . . . 0.0 112.615 -175.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.36 -39.53 47.14 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.832 -0.543 . . . . 0.0 111.082 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.31 -33.0 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.458 ' HA ' ' CG1' ' C' ' 51' ' ' ILE . 87.9 t80 -56.47 -30.5 62.99 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.042 0.537 . . . . 0.0 112.08 -175.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -71.83 -19.03 62.04 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 122.004 -0.435 . . . . 0.0 111.256 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -86.35 -15.32 40.86 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.458 ' CG1' ' HA ' ' C' ' 48' ' ' TYR . 14.1 mm -80.3 -57.81 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 121.799 0.809 . . . . 0.0 108.817 178.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -68.61 3.23 1.94 Allowed 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.928 0.891 . . . . 0.0 112.309 -172.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.64 -13.5 62.34 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 122.91 0.484 . . . . 0.0 112.128 175.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.71 11.64 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 CA-C-O 119.265 -0.742 . . . . 0.0 114.514 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -152.48 179.94 8.13 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.69 1.245 . . . . 0.0 110.707 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -152.14 -30.16 0.16 Allowed 'General case' 0 C--N 1.341 0.2 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 176.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.12 65.28 4.03 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 118.18 0.445 . . . . 0.0 111.193 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.68 167.27 0.44 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 124.014 3.143 . . . . 0.0 114.603 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 CA--C 1.531 0.233 0 CA-C-N 115.27 -0.877 . . . . 0.0 113.218 -175.882 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C5'-C4'-C3' 111.447 -2.702 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 99.363 -3.337 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C4'-C3'-C2' 99.504 -3.196 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.721 -2.979 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 1 C4'-C3'-C2' 98.646 -4.054 . 0.734 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 O4'-C1'-N19 111.25 3.05 . 0.417 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 O4'-C1'-N19 111.241 3.041 . 0.635 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 C4'-C3'-C2' 100.377 -2.323 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 1 C5'-C4'-C3' 109.189 -4.207 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 C5'-C4'-C3' 111.523 -2.651 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C3'-C2'-C1' 104.104 2.893 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 0 C5'-C4'-C3' 111.438 -2.708 . 0.132 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 1 C5'-C4'-C3' 107.467 -5.356 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 C5'-C4'-C3' 110.193 -3.538 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.148 -3.552 . 0.654 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 98.927 -3.773 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 C4'-C3'-C2' 99.456 -3.244 . 0.493 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.777 -2.923 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.814 0 C4'-C3'-C2' 99.516 -3.184 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.427 -3.273 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.869 -2.831 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.581 ' HG2' HD11 ' A' ' 3' ' ' ILE . 9.9 tpp . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.533 0.206 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.436 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.9 tm? -128.54 106.15 8.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 172.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.581 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.0 mp -101.95 143.49 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.132 0.973 . . . . 0.0 110.535 -174.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.81 173.9 13.16 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.149 0.579 . . . . 0.0 110.453 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.3 p -113.94 156.32 24.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.069 0.461 . . . . 0.0 111.903 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.69 164.21 32.49 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.12 1.368 . . . . 0.0 108.535 170.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -107.52 160.82 15.37 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.7 m -59.95 128.82 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.522 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.86 10.01 53.28 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 119.344 -0.698 . . . . 0.0 112.903 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -116.48 174.58 5.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 118.416 1.108 . . . . 0.0 110.717 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -137.47 174.19 10.86 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -168.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -152.81 165.73 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 127.383 2.273 . . . . 0.0 106.579 -173.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -143.68 154.37 43.44 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 118.329 0.513 . . . . 0.0 112.237 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.2 mt -146.7 150.41 14.99 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 123.879 0.872 . . . . 0.0 110.017 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.27 13.81 7.72 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.545 1.069 . . . . 0.0 114.87 170.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 55.57 12.11 0.74 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.2 1.0 . . . . 0.0 113.533 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -142.18 9.86 1.9 Allowed 'General case' 0 C--N 1.34 0.192 0 C-N-CA 123.358 0.663 . . . . 0.0 110.772 175.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.95 150.3 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 121.302 0.573 . . . . 0.0 109.592 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.3 m -137.4 149.93 47.29 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 mm -133.03 147.53 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -146.14 128.23 15.61 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -78.72 96.49 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 174.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD13 " H1'" ' D' ' 67' ' ' ' C' . 23.5 mt -70.23 -27.53 64.53 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.24 -0.287 . . . . 0.0 111.087 -173.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.87 -178.84 39.16 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.04 164.2 26.27 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 121.126 0.488 . . . . 0.0 110.838 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -151.28 73.08 1.08 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.32 -138.67 29.53 Favored Glycine 0 C--N 1.337 0.629 0 N-CA-C 108.881 -1.688 . . . . 0.0 108.881 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -67.45 -12.72 60.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.245 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.75 150.11 24.81 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 52.3 t -140.73 127.42 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -95.28 131.25 41.56 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.78 151.49 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -171.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.4 149.48 18.01 Favored Glycine 0 C--N 1.333 0.362 0 N-CA-C 108.516 -1.834 . . . . 0.0 108.516 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -138.56 143.87 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -144.22 104.46 4.11 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.165 0.507 . . . . 0.0 109.943 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.28 157.92 41.8 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 123.844 0.857 . . . . 0.0 108.727 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -61.97 146.42 96.32 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.175 1.917 . . . . 0.0 108.82 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HE3' " H2'" ' D' ' 65' ' ' ' G' . 14.1 tptm -62.59 -8.41 6.4 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.023 0.44 . . . . 0.0 110.916 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.55 -6.5 15.28 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.427 1.891 . . . . 0.0 112.258 176.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -132.76 169.02 22.82 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.5 153.25 30.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 117.697 0.226 . . . . 0.0 111.507 -173.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 m -147.13 128.84 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -158.87 163.97 36.13 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 118.184 0.447 . . . . 0.0 110.035 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -64.91 155.77 33.2 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 171.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -57.32 -30.74 65.04 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.117 -0.365 . . . . 0.0 111.722 -176.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.57 -35.94 70.75 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 122.124 -0.36 . . . . 0.0 111.309 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -82.71 -30.46 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -176.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -57.81 -25.06 60.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.803 0.841 . . . . 0.0 111.236 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -67.57 -14.73 63.19 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.724 0.41 . . . . 0.0 111.981 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -80.43 -41.51 24.39 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.4 mp -67.58 -8.91 9.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.318 1.047 . . . . 0.0 109.53 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -118.23 -6.01 10.86 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -138.55 -2.99 1.72 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -176.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.2 -11.47 0.06 OUTLIER Glycine 0 CA--C 1.528 0.855 0 CA-C-N 119.072 0.851 . . . . 0.0 112.077 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 53.93 -175.05 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.26 1.824 . . . . 0.0 112.93 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.8 p -136.51 6.7 3.01 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.268 0.627 . . . . 0.0 111.077 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.17 65.08 5.97 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 122.861 0.464 . . . . 0.0 110.977 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -52.56 172.09 0.18 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 124.227 3.285 . . . . 0.0 114.256 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 CA--C 1.533 0.322 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.847 -178.053 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.956 -2.744 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.151 -3.549 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 C4'-C3'-C2' 99.525 -3.175 . 0.673 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 O4'-C1'-N19 111.204 3.004 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.917 1 C4'-C3'-C2' 98.517 -4.183 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 98.721 -3.979 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 O4'-C1'-N19 111.202 3.002 . 0.543 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.993 -2.707 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . 0.459 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.684 1 C5'-C4'-C3' 109.267 -4.155 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . 0.459 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 O4'-C1'-N19 110.679 2.479 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.814 0 O4'-C1'-N19 110.942 2.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.248 0 C5'-C4'-C3' 110.591 -3.273 . 0.122 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . 0.403 ' C6 ' ' CE ' ' A' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.418 -2.899 1 C5'-C4'-C3' 105.343 -6.771 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 1 P-O3'-C3' 125.155 4.545 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.037 -3.663 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 1 C4'-C3'-C2' 98.657 -4.043 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 98.801 -3.899 . 0.568 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.658 -3.042 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 C4'-C3'-C2' 99.225 -3.475 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.438 -3.262 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 C4'-C3'-C2' 100.12 -2.58 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mmm . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.731 0.301 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.61 113.66 11.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 169.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.481 ' CD1' " H4'" ' D' ' 67' ' ' ' C' . 4.7 mp -112.02 141.85 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.07 0.948 . . . . 0.0 109.797 -172.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -163.25 176.12 10.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.926 0.49 . . . . 0.0 110.591 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 23.8 p -122.07 153.98 37.93 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.298 0.57 . . . . 0.0 111.188 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.453 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -147.7 168.08 23.01 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.721 1.608 . . . . 0.0 107.199 173.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -115.06 162.09 17.48 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.851 0.358 . . . . 0.0 110.332 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.4 m -54.81 127.56 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.687 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.04 -15.01 55.58 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.679 0.657 . . . . 0.0 112.241 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -84.68 178.14 7.78 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.019 0.91 . . . . 0.0 110.84 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 28.3 m -139.53 166.77 23.71 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.374 0.607 . . . . 0.0 112.291 -174.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.408 HD13 HG21 ' C' ' 12' ' ' ILE . 37.1 mt -142.63 167.37 14.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 125.627 1.571 . . . . 0.0 107.081 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -140.62 154.65 46.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.807 -0.558 . . . . 0.0 111.351 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -139.83 141.62 33.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 123.865 0.866 . . . . 0.0 108.743 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.78 -133.84 49.96 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -137.68 17.15 2.89 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -142.04 6.96 1.79 Allowed 'General case' 0 C--O 1.231 0.089 0 C-N-CA 123.237 0.615 . . . . 0.0 111.766 -178.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.1 147.41 33.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 118.801 0.728 . . . . 0.0 110.506 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.0 m -138.07 154.98 49.23 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -136.99 146.5 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -177.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.6 m -140.64 129.49 23.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.5 95.2 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -69.2 -29.76 67.79 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.062 -170.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.13 -175.67 40.2 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.55 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 m -124.93 163.07 26.04 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 CA-C-O 121.092 0.473 . . . . 0.0 110.44 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -151.51 68.75 0.91 Allowed 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.48 -138.54 29.09 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -172.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -65.34 -13.06 57.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.793 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -88.65 145.94 25.38 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -133.72 131.47 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -177.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.9 ttm-85 -101.0 129.06 46.78 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.23 154.95 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 -170.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.49 20.23 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 1' ' ' MET . 5.3 mp -133.42 144.88 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -137.53 108.78 6.83 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.78 160.06 31.36 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.045 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.52 152.64 80.36 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.387 2.725 . . . . 0.0 110.75 174.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -65.19 -6.01 8.32 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 122.208 -0.308 . . . . 0.0 110.59 175.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -66.58 -7.86 23.08 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.329 0.652 . . . . 0.0 111.094 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.0 166.06 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 154.03 31.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 121.231 -0.187 . . . . 0.0 110.988 -173.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.5 m -145.26 129.61 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -157.15 159.89 38.24 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -66.08 158.14 29.26 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 169.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.61 -23.03 57.97 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -173.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.75 -45.34 62.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.072 -0.393 . . . . 0.0 110.37 -177.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.25 -28.88 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.505 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.2 t80 -59.94 -39.21 84.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.289 0.236 . . . . 0.0 111.247 -178.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -69.11 -15.05 63.34 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -176.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -86.23 -9.93 55.59 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.633 0.373 . . . . 0.0 110.331 175.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.567 ' HA ' HD11 ' C' ' 55' ' ' LEU . 93.6 mt -110.3 -36.28 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 122.696 0.398 . . . . 0.0 111.574 -172.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.505 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 70.7 mm-40 -76.54 0.11 21.16 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 122.217 -0.302 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.3 -17.53 64.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.98 20.42 0.09 OUTLIER Glycine 0 C--N 1.342 0.892 0 CA-C-O 119.091 -0.838 . . . . 0.0 114.295 178.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.567 HD11 ' HA ' ' C' ' 51' ' ' ILE . 3.1 pp -145.35 31.62 1.1 Allowed 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 118.809 1.304 . . . . 0.0 113.699 -171.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 38.5 p -65.82 -2.7 4.01 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.606 -0.684 . . . . 0.0 112.341 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.0 71.39 12.25 Favored Pre-proline 0 N--CA 1.455 -0.212 0 C-N-CA 124.075 0.95 . . . . 0.0 109.693 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -49.25 -31.32 21.94 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 124.521 3.48 . . . . 0.0 114.431 -176.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -175.44 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C5'-C4'-C3' 111.344 -2.771 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.855 0 C4'-C3'-C2' 99.067 -3.633 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C4'-C3'-C2' 99.143 -3.557 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 O4'-C1'-N19 111.679 3.479 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.067 -3.633 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C4'-C3'-C2' 98.804 -3.896 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 O4'-C1'-N19 111.326 3.126 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 99.95 -2.75 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.41 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.717 1 C5'-C4'-C3' 109.221 -4.186 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . 0.41 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 100.031 -2.669 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . 0.401 " H2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 C3'-C2'-C1' 103.98 2.756 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C3'-C2'-C1' 103.567 2.296 . 0.14 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . 0.481 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 C4'-C3'-C2' 99.134 -3.566 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.901 0 C4'-C3'-C2' 100.042 -2.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 C4'-C3'-C2' 99.266 -3.434 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 1 C4'-C3'-C2' 98.674 -4.026 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.133 -3.567 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C4'-C3'-C2' 99.947 -2.753 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.617 -3.083 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.831 0 C4'-C3'-C2' 99.378 -3.322 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 100.169 -2.531 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ttp . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 111.137 0.051 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.78 127.69 49.48 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.525 HD11 " H5'" ' B' ' 67' ' ' ' C' . 4.5 mp -129.88 141.3 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 C-N-CA 123.201 0.6 . . . . 0.0 109.603 -171.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.53 163.52 32.75 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.236 176.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -94.88 155.46 16.77 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.434 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 1.0 OUTLIER -148.77 140.18 23.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.165 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -96.06 159.15 15.11 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.728 0.694 . . . . 0.0 110.452 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.526 HG11 HG12 ' A' ' 25' ' ' VAL . 27.5 m -52.25 140.48 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.86 -15.65 58.71 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 119.256 -0.747 . . . . 0.0 113.328 175.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -81.7 179.49 7.81 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.718 1.259 . . . . 0.0 111.005 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -138.71 170.22 16.38 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.427 0.632 . . . . 0.0 112.237 -174.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.4 mt -153.36 158.53 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 126.169 1.787 . . . . 0.0 107.555 -172.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -137.07 153.98 50.45 Favored 'General case' 0 C--O 1.231 0.086 0 O-C-N 122.125 -0.359 . . . . 0.0 110.65 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -146.54 146.77 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.631 0.772 . . . . 0.0 110.037 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.24 14.86 4.86 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.54 1.067 . . . . 0.0 114.82 171.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 54.5 12.87 0.58 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -140.44 8.19 2.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.364 0.665 . . . . 0.0 110.51 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.21 146.61 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -135.33 151.12 50.22 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -135.09 145.65 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -137.37 128.64 27.94 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.13 88.26 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.3 mt -63.71 -24.8 67.92 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.84 -177.67 42.02 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.475 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.526 HG12 HG11 ' A' ' 8' ' ' VAL . 11.7 p -137.65 146.84 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.451 0.7 . . . . 0.0 109.174 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -147.61 68.85 1.13 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.014 0.926 . . . . 0.0 108.55 -176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.31 -135.6 22.62 Favored Glycine 0 C--N 1.336 0.551 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -65.79 -17.7 64.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.859 176.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.432 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 2.5 tp-100 -86.33 149.4 25.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.684 0.674 . . . . 0.0 109.919 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -143.07 133.84 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -107.61 133.39 52.12 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -135.58 155.61 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.08 -170.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.88 153.52 19.37 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.8 mt -135.82 144.91 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -143.01 108.87 5.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.76 159.04 36.79 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.743 0.817 . . . . 0.0 109.095 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.52 150.38 88.66 Favored 'Trans proline' 0 N--CA 1.449 -1.104 0 C-N-CA 122.313 2.009 . . . . 0.0 109.782 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -68.97 -0.72 5.99 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.766 -0.584 . . . . 0.0 110.557 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -68.52 -7.68 34.48 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.19 0.996 . . . . 0.0 110.815 171.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -135.84 169.17 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.0 160.57 27.33 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.151 -0.343 . . . . 0.0 111.485 -173.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 m -144.86 131.62 15.53 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.062 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -156.37 167.08 31.56 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 117.886 0.312 . . . . 0.0 110.91 175.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -61.82 156.35 20.8 Favored 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 171.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -62.21 -37.36 85.05 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.157 -0.339 . . . . 0.0 111.07 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -72.49 -20.88 61.29 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.097 0.559 . . . . 0.0 112.0 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.5 mm -90.69 -30.32 4.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.484 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 78.1 t80 -61.31 -36.26 79.62 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.347 1.059 . . . . 0.0 111.454 -176.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -69.47 -18.44 63.71 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.769 -0.582 . . . . 0.0 112.014 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -80.65 -9.59 59.78 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 176.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.0 mt -110.7 -42.91 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 122.596 0.358 . . . . 0.0 110.985 -174.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.484 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 77.3 mm-40 -70.12 0.73 5.64 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.085 -0.384 . . . . 0.0 111.847 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.62 -15.97 63.26 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.72 15.44 0.06 OUTLIER Glycine 0 CA--C 1.527 0.842 0 CA-C-O 119.326 -0.708 . . . . 0.0 113.769 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -152.39 -170.12 3.55 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.4 1.1 . . . . 0.0 111.472 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m -134.53 -6.5 2.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.033 0.533 . . . . 0.0 110.517 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.92 112.66 2.52 Favored Pre-proline 0 CA--C 1.536 0.409 0 C-N-CA 123.272 0.629 . . . . 0.0 109.338 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.22 -167.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 125.224 3.949 . . . . 0.0 115.944 174.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 N--CA 1.45 -0.446 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.48 -172.024 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C5'-C4'-C3' 111.507 -2.662 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C4'-C3'-C2' 99.172 -3.528 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.328 -3.372 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.495 -3.205 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.29 -3.41 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C4'-C3'-C2' 98.904 -3.796 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 O4'-C1'-N19 111.062 2.862 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 100.273 -2.427 . 0.673 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . 0.42 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.612 1 O4'-C1'-N19 112.234 4.034 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . 0.42 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 C4'-C3'-C2' 99.984 -2.716 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.482 0 O4'-C1'-N19 111.15 2.95 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . 0.614 " H2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C3'-C2'-C1' 104.387 3.208 . 0.611 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . 0.614 H5'' " H2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.374 2 O5'-C5'-C4' 118.875 6.196 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . 0.548 " C5'" " H4'" ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.059 1 P-O3'-C3' 125.047 4.456 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C4'-C3'-C2' 99.237 -3.463 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.151 -3.549 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 0 C4'-C3'-C2' 99.453 -3.247 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 99.919 -2.781 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 C4'-C3'-C2' 99.386 -3.314 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.331 -3.369 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C4'-C3'-C2' 99.989 -2.711 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.466 ' HG2' HD11 ' C' ' 3' ' ' ILE . 15.3 tpp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 110.783 -0.08 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' C' ' 1' ' ' MET . 2.9 tm? -124.35 102.33 7.62 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 169.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.485 HD13 " H5'" ' D' ' 68' ' ' ' G' . 4.6 mp -85.04 150.6 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.553 0.741 . . . . 0.0 109.032 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.644 HD13 ' H ' ' C' ' 5' ' ' THR . 0.2 OUTLIER -154.77 165.66 35.91 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -173.035 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.644 ' H ' HD13 ' C' ' 4' ' ' LEU . 0.0 OUTLIER -134.42 146.34 49.75 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -148.63 162.57 39.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -175.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.432 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 41.6 mtmt -120.04 161.4 21.01 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.469 0.652 . . . . 0.0 110.448 172.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -56.6 129.02 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.317 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.94 7.05 56.75 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.463 -0.632 . . . . 0.0 113.099 178.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -115.29 179.48 3.95 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.322 1.061 . . . . 0.0 110.464 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.8 m -141.27 170.26 16.06 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -173.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 49.6 mt -143.58 165.83 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 126.513 1.925 . . . . 0.0 106.957 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -136.76 154.93 50.44 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-N 118.564 0.62 . . . . 0.0 111.808 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -139.64 146.44 25.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -137.71 42.05 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -135.27 17.17 3.42 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.956 0.502 . . . . 0.0 109.692 175.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -143.23 9.29 1.65 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.69 0.796 . . . . 0.0 111.597 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.03 149.08 33.36 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 CA-C-N 118.893 0.769 . . . . 0.0 110.819 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 45.4 m -139.3 154.54 47.94 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.6 mm -135.15 148.61 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -144.21 150.08 37.41 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -111.45 90.26 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.64 -24.64 63.66 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.225 -169.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.98 -177.77 40.34 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.607 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -127.27 161.67 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 CA-C-O 121.381 0.61 . . . . 0.0 110.731 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 56.9 m -151.17 64.4 0.9 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.36 -135.93 21.61 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.4 -14.98 62.1 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 117.463 0.631 . . . . 0.0 110.98 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -88.95 149.63 23.21 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.03 131.26 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -95.02 128.69 42.04 Favored 'General case' 0 CA--C 1.523 -0.087 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -131.38 154.44 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -170.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.33 149.79 17.54 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -136.75 140.05 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -141.75 104.37 4.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 -172.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.97 162.05 30.49 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 124.003 0.921 . . . . 0.0 109.372 -177.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.8 151.49 85.52 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.759 2.306 . . . . 0.0 110.352 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -67.76 -1.84 6.06 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.837 -0.539 . . . . 0.0 110.697 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -68.39 -7.76 34.34 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.921 0.889 . . . . 0.0 110.481 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -136.26 168.98 21.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.45 159.32 32.22 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 122.007 -0.433 . . . . 0.0 111.314 -174.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.53 130.32 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -157.12 162.2 39.41 Favored 'General case' 0 C--O 1.231 0.129 0 O-C-N 121.732 -0.605 . . . . 0.0 110.81 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -59.11 147.44 34.99 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 169.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.13 -22.4 64.64 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.27 0.486 . . . . 0.0 112.238 -175.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -72.21 -43.03 65.07 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.73 -0.606 . . . . 0.0 110.479 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.7 mm -73.58 -31.94 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.4 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 93.7 t80 -53.03 -38.3 62.27 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.98 0.912 . . . . 0.0 111.5 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -63.06 -14.4 47.71 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.576 0.75 . . . . 0.0 112.839 -174.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -80.2 -39.39 29.29 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.539 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.1 mp -71.34 -14.17 17.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 123.704 0.801 . . . . 0.0 109.644 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.4 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 49.1 mm-40 -102.58 0.66 33.75 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.37 -4.32 1.48 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -173.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.42 -10.61 0.03 OUTLIER Glycine 0 CA--C 1.526 0.767 0 CA-C-N 119.462 1.028 . . . . 0.0 113.153 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' C' ' 55' ' ' LEU . 0.0 OUTLIER 68.07 -178.14 0.21 Allowed 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.955 1.302 . . . . 0.0 111.289 169.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 74.0 p -135.39 7.54 3.34 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.842 0.457 . . . . 0.0 111.351 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.435 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -149.49 58.24 3.24 Favored Pre-proline 0 CA--C 1.534 0.327 0 C-N-CA 122.836 0.454 . . . . 0.0 111.363 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 84.4 Cg_exo -48.06 164.81 0.16 Allowed 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 123.987 3.125 . . . . 0.0 115.17 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t70 . . . . . 0 CA--C 1.53 0.186 0 C-N-CA 124.883 1.273 . . . . 0.0 113.276 -178.122 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.87 -2.83 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.252 -3.448 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.191 -3.509 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.386 3.186 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 98.918 -3.782 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 C4'-C3'-C2' 99.479 -3.221 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 O4'-C1'-N19 111.408 3.208 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 O4'-C1'-N19 111.191 2.991 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.54 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 O4'-C1'-N19 110.869 2.669 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . 0.54 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 C4'-C3'-C2' 99.312 -3.388 . 0.02 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 O4'-C1'-N19 110.601 2.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 C5'-C4'-C3' 110.569 -3.287 . 0.251 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.031 1 C5'-C4'-C3' 105.514 -6.657 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . 0.485 " H5'" HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.794 1 P-O3'-C3' 125.403 4.753 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.078 -3.622 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.462 1 C4'-C3'-C2' 98.26 -4.44 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.319 -3.381 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 100.085 -2.615 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C4'-C3'-C2' 99.539 -3.161 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 C4'-C3'-C2' 99.279 -3.421 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 0 C4'-C3'-C2' 99.648 -3.052 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HG2' HD11 ' A' ' 3' ' ' ILE . 11.9 tpp . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 120.353 0.121 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 1' ' ' MET . 2.8 tm? -127.35 105.35 8.47 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 171.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.474 HD11 ' HG2' ' A' ' 1' ' ' MET . 5.0 mp -99.95 141.86 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.176 0.99 . . . . 0.0 110.179 -174.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.08 167.42 24.35 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.233 0.613 . . . . 0.0 110.583 173.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 p -98.98 160.31 14.35 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.258 0.551 . . . . 0.0 110.359 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -147.95 158.35 44.0 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 172.717 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -102.99 153.71 19.97 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.12 131.03 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.72 6.11 59.65 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 119.411 -0.661 . . . . 0.0 112.809 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -115.86 179.62 3.93 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.457 1.129 . . . . 0.0 110.792 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -135.27 171.57 14.24 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -169.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mt -153.06 159.86 3.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 127.31 2.244 . . . . 0.0 106.52 -171.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -138.07 154.96 49.23 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 118.696 0.68 . . . . 0.0 111.463 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -141.0 142.84 29.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 124.677 1.191 . . . . 0.0 108.733 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.69 -137.69 45.52 Favored Glycine 0 C--N 1.336 0.534 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -135.02 14.87 3.56 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.117 0.567 . . . . 0.0 110.45 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -140.03 8.31 2.28 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.577 0.751 . . . . 0.0 111.548 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.23 146.41 34.28 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 CA-C-N 118.867 0.758 . . . . 0.0 110.801 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.2 m -136.72 156.93 47.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.377 1.071 . . . . 0.0 108.294 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -137.66 146.84 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -140.83 145.04 35.73 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -104.91 90.52 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.24 -26.75 66.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -168.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.78 -177.04 39.02 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.818 176.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.2 m -125.72 162.24 29.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.404 0.621 . . . . 0.0 110.583 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -151.35 65.18 0.89 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.38 -135.92 21.59 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 109.014 -1.634 . . . . 0.0 109.014 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.68 -16.45 63.76 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.693 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.23 150.78 24.14 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -142.3 134.62 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttm-85 -99.37 128.5 45.49 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -132.45 155.05 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 -171.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.9 153.51 20.34 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' C' ' 1' ' ' MET . 73.7 mt -137.32 144.63 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -140.85 109.43 5.94 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.838 0.351 . . . . 0.0 110.473 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.48 159.64 32.35 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.529 1.132 . . . . 0.0 108.042 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -60.68 149.08 89.36 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 122.011 1.808 . . . . 0.0 108.897 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -61.41 -6.73 2.45 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.256 0.55 . . . . 0.0 110.186 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.58 -11.12 14.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.413 1.885 . . . . 0.0 112.459 176.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -132.29 172.05 17.03 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.93 152.19 31.19 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 122.211 -0.306 . . . . 0.0 110.967 -174.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.7 m -147.48 126.35 4.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -157.78 161.93 38.45 Favored 'General case' 0 N--CA 1.457 -0.106 0 O-C-N 121.782 -0.574 . . . . 0.0 110.956 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -65.54 153.37 41.67 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 172.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -59.07 -29.96 67.71 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.162 0.185 . . . . 0.0 111.466 -176.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -69.18 -40.84 77.86 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.305 0.242 . . . . 0.0 110.47 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -74.86 -31.35 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.498 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 86.8 t80 -57.61 -33.71 68.52 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.706 0.802 . . . . 0.0 111.59 -177.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.06 -18.4 63.28 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -86.35 -8.48 57.66 Favored 'General case' 0 N--CA 1.46 0.074 0 C-N-CA 122.814 0.446 . . . . 0.0 110.261 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.8 mt -110.7 -35.4 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 122.918 0.487 . . . . 0.0 111.08 -172.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.498 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 66.2 mm-40 -78.57 1.89 21.06 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.227 -0.295 . . . . 0.0 111.082 175.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.94 -19.71 66.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.99 21.76 0.06 OUTLIER Glycine 0 C--N 1.34 0.753 0 CA-C-O 118.789 -1.006 . . . . 0.0 114.595 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 56' ' ' THR . 0.7 OUTLIER -145.78 -33.74 0.33 Allowed 'General case' 0 C--N 1.339 0.131 0 CA-C-N 119.388 1.594 . . . . 0.0 114.485 -174.084 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.405 ' N ' HD12 ' A' ' 55' ' ' LEU . 2.2 m 39.42 27.88 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.889 1.276 . . . . 0.0 113.785 -174.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.57 68.39 3.53 Favored Pre-proline 0 CA--C 1.536 0.41 0 O-C-N 121.866 -0.521 . . . . 0.0 110.961 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.98 166.39 0.38 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 124.07 3.18 . . . . 0.0 113.679 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.507 -177.474 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 C4'-C3'-C2' 99.634 -3.066 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.154 -3.546 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.154 -3.546 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.592 -3.108 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 98.736 -3.964 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 O4'-C1'-N19 111.192 2.992 . 0.482 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.823 0 O4'-C1'-N19 111.25 3.05 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 O4'-C1'-N19 111.499 3.299 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . 0.496 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C5'-C4'-C3' 109.987 -3.675 OUTLIER-DELTA 0.023 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . 0.496 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.9 -2.8 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . 0.401 " O2'" ' HE3' ' C' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 O4'-C1'-N19 110.788 2.588 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.318 0 C5'-C4'-C3' 110.714 -3.191 . 0.166 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.875 1 C5'-C4'-C3' 108.482 -4.679 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C5'-C4'-C3' 109.86 -3.76 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C4'-C3'-C2' 99.77 -2.93 . 0.524 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 98.993 -3.707 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 C4'-C3'-C2' 99.222 -3.478 . 0.595 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.834 -2.866 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.513 -3.187 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.513 -3.187 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 99.901 -2.799 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.507 ' HG2' HD11 ' C' ' 3' ' ' ILE . 12.4 tpp . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 120.483 0.182 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.436 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.1 tm? -128.85 106.11 8.69 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 172.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.507 HD11 ' HG2' ' C' ' 1' ' ' MET . 4.9 mp -101.07 142.59 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 123.902 0.881 . . . . 0.0 109.369 -175.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp -162.28 -179.31 6.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.884 0.474 . . . . 0.0 110.632 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -119.68 152.41 37.17 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.491 0.662 . . . . 0.0 111.104 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.418 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.5 OUTLIER -145.7 168.63 20.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.523 1.529 . . . . 0.0 107.755 176.361 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -118.93 163.33 17.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 174.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.558 HG11 HG12 ' C' ' 25' ' ' VAL . 21.3 m -53.29 136.27 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.692 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.5 -13.89 65.37 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 123.485 0.564 . . . . 0.0 112.485 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -81.96 179.18 7.91 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.908 0.854 . . . . 0.0 111.165 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -140.93 168.85 18.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.379 0.609 . . . . 0.0 111.841 -176.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.421 HG22 ' H ' ' C' ' 13' ' ' ASN . 14.6 mt -143.47 170.05 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 125.603 1.561 . . . . 0.0 107.468 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . 0.421 ' H ' HG22 ' C' ' 12' ' ' ILE . 8.8 t-20 -140.48 154.45 46.6 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.7 -0.625 . . . . 0.0 111.538 -176.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -140.46 138.64 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.07 -129.61 47.91 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 -175.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -141.58 15.5 2.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.037 0.535 . . . . 0.0 110.131 174.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -137.1 7.53 2.91 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.503 0.721 . . . . 0.0 111.526 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.06 143.68 40.3 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-N 118.395 0.543 . . . . 0.0 109.549 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 19.5 m -138.37 155.93 48.07 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -137.35 148.71 25.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -138.86 150.36 45.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -110.99 88.18 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.62 -24.84 67.14 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.262 -168.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.89 -179.01 42.49 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.392 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.558 HG12 HG11 ' C' ' 8' ' ' VAL . 11.6 p -132.69 145.53 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.081 0.552 . . . . 0.0 109.682 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -146.21 60.9 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.491 1.117 . . . . 0.0 108.87 -174.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.03 -136.14 23.68 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.79 -10.06 34.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.335 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -103.39 145.39 30.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 119.048 0.84 . . . . 0.0 109.302 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 31.8 t -135.45 141.12 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -105.47 126.99 52.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -130.78 155.39 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.917 -170.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.54 155.23 21.27 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 1' ' ' MET . 70.4 mt -136.59 144.98 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -140.0 108.25 5.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.14 158.96 32.76 Favored Pre-proline 0 N--CA 1.451 -0.379 0 C-N-CA 123.463 0.705 . . . . 0.0 109.954 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.88 151.5 85.53 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.254 2.636 . . . . 0.0 110.635 174.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . 0.401 ' HE3' " O2'" ' B' ' 65' ' ' ' G' . 20.7 mmtp -65.2 -4.52 5.21 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.014 -0.429 . . . . 0.0 110.681 175.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.01 -7.05 19.62 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.636 0.774 . . . . 0.0 110.872 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.33 165.55 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.22 156.29 29.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.078 -0.389 . . . . 0.0 110.922 -174.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 m -144.95 130.99 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -158.8 167.57 29.12 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 122.128 -0.358 . . . . 0.0 110.363 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -60.62 152.27 26.8 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 169.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.91 -23.13 67.22 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.927 0.785 . . . . 0.0 111.576 -178.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -73.12 -30.98 64.02 Favored 'General case' 0 CA--C 1.527 0.083 0 O-C-N 121.816 -0.552 . . . . 0.0 110.877 175.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.7 mm -90.32 -22.4 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.98 -29.52 69.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.896 0.478 . . . . 0.0 110.016 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -68.55 -14.29 62.91 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.904 0.482 . . . . 0.0 110.783 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . 0.49 ' C ' HD12 ' C' ' 51' ' ' ILE . 27.8 mmt180 -81.06 -7.15 59.5 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.67 -0.644 . . . . 0.0 110.348 176.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.49 HD12 ' C ' ' C' ' 50' ' ' ARG . 1.5 mp -110.57 -14.32 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 123.731 0.812 . . . . 0.0 109.295 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -115.16 -14.26 11.76 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -144.79 -2.1 0.84 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -175.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.64 52.23 0.37 Allowed Glycine 0 C--N 1.336 0.573 0 N-CA-C 110.169 -1.173 . . . . 0.0 110.169 -174.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.74 ' H ' HD22 ' C' ' 55' ' ' LEU . 0.3 OUTLIER -48.76 166.82 0.03 OUTLIER 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.873 1.669 . . . . 0.0 113.376 -172.694 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 44.5 p -58.97 -35.9 73.95 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.991 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.513 ' H ' ' CD ' ' C' ' 58' ' ' PRO . . . -173.58 -41.8 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 124.456 1.103 . . . . 0.0 111.669 173.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.513 ' CD ' ' H ' ' C' ' 57' ' ' ALA . 27.1 Cg_exo -65.88 -178.63 1.06 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.158 2.572 . . . . 0.0 113.611 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.233 174.467 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 C5'-C4'-C3' 111.293 -2.805 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.346 -3.354 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.29 -3.41 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 O4'-C1'-N19 111.465 3.265 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.166 -3.534 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 C4'-C3'-C2' 99.226 -3.474 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 111.291 3.091 . 0.545 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 O4'-C1'-N19 111.131 2.931 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.412 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 O4'-C1'-N19 111.437 3.237 . 0.491 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . 0.412 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 99.242 -3.458 . 0.012 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 N19-C1'-C2' 109.221 -2.612 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.331 0 C5'-C4'-C3' 111.463 -2.691 . 0.134 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.942 1 C5'-C4'-C3' 108.952 -4.365 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C5'-C4'-C3' 109.977 -3.682 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.338 -3.362 . 0.591 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 98.732 -3.968 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.358 -3.342 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.931 -2.769 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 99.445 -3.255 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 99.313 -3.387 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C4'-C3'-C2' 100.146 -2.554 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.437 ' HG2' HD11 ' A' ' 3' ' ' ILE . 10.3 tpp . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.1 tm? -125.63 103.52 7.89 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 172.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.488 ' CD1' " H4'" ' B' ' 67' ' ' ' C' . 4.4 mp -93.18 151.5 3.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 125.043 1.337 . . . . 0.0 110.442 -174.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt -151.28 175.99 11.67 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 124.107 0.963 . . . . 0.0 111.403 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 p -128.77 122.66 31.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 167.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -123.19 136.14 54.62 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.673 0.789 . . . . 0.0 109.512 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -82.96 156.17 23.61 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 176.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.676 HG11 HG12 ' A' ' 25' ' ' VAL . 14.3 m -57.0 133.0 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.26 2.68 65.78 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.323 -0.709 . . . . 0.0 113.43 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -106.18 179.61 4.22 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.336 1.068 . . . . 0.0 110.552 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -137.69 171.38 14.53 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -170.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -152.09 165.49 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 126.93 2.092 . . . . 0.0 107.037 -173.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -140.27 154.75 46.95 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 121.556 -0.715 . . . . 0.0 111.737 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -140.64 140.16 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.83 -136.38 47.76 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 -177.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -136.44 17.49 3.15 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -141.25 6.3 1.92 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.95 0.5 . . . . 0.0 111.544 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.78 147.73 33.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 118.649 0.659 . . . . 0.0 110.38 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -137.7 151.67 48.47 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.7 mm -135.41 149.2 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.9 m -143.96 151.7 40.1 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.64 87.32 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.29 -25.23 68.21 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -168.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.69 -174.53 43.95 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.531 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.676 HG12 HG11 ' A' ' 8' ' ' VAL . 13.8 p -141.67 144.04 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.579 0.752 . . . . 0.0 109.855 -176.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.1 m -148.18 71.22 1.16 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.024 0.93 . . . . 0.0 108.676 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.7 -138.61 28.86 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 -175.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -66.11 -17.32 64.63 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.921 -0.561 . . . . 0.0 110.707 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.91 148.63 25.69 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -144.36 133.92 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -176.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -101.69 131.37 47.99 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -129.33 150.21 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.534 -169.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.13 145.8 17.23 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -137.27 144.2 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -144.06 104.51 4.14 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.24 159.55 33.37 Favored Pre-proline 0 N--CA 1.454 -0.253 0 C-N-CA 123.629 0.772 . . . . 0.0 109.858 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -66.93 153.38 78.11 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.501 2.801 . . . . 0.0 110.701 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -64.68 -1.34 1.82 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.072 -0.392 . . . . 0.0 110.213 173.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -66.42 -10.84 47.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.314 1.046 . . . . 0.0 110.301 173.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -138.07 167.99 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 124.582 1.153 . . . . 0.0 107.921 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.61 154.69 36.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.14 -0.35 . . . . 0.0 110.68 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -145.06 128.09 10.89 Favored 'Isoleucine or valine' 0 C--O 1.229 0.026 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -157.57 163.24 38.55 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.865 0.364 . . . . 0.0 111.054 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -64.23 156.13 29.7 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 169.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -58.59 -30.33 67.12 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.374 -0.204 . . . . 0.0 111.544 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -72.05 -42.18 66.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.956 -0.465 . . . . 0.0 111.618 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.81 -27.3 16.62 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.095 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -58.38 -38.73 77.9 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -62.79 -15.93 55.95 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.7 mmm-85 -76.0 -39.79 55.05 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.1 mp -69.78 -17.86 21.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.725 177.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -96.86 -1.45 46.01 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.13 -3.63 1.07 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -173.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.76 -12.79 0.02 OUTLIER Glycine 0 C--N 1.336 0.541 0 CA-C-N 119.747 1.158 . . . . 0.0 113.666 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 66.27 -174.99 0.19 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.736 1.214 . . . . 0.0 111.741 169.519 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -131.08 4.88 4.46 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.167 0.587 . . . . 0.0 110.969 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.431 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -156.12 53.79 0.83 Allowed Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 123.573 0.749 . . . . 0.0 111.345 177.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 89.6 Cg_exo -44.97 142.98 4.87 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.456 2.771 . . . . 0.0 113.595 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 125.46 1.504 . . . . 0.0 114.941 176.014 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C5'-C4'-C3' 111.273 -2.818 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.553 -3.147 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 C4'-C3'-C2' 99.435 -3.265 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 111.53 3.33 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 C4'-C3'-C2' 98.935 -3.765 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.7 -3.0 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.756 -2.944 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 99.39 -3.31 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 0 C5'-C4'-C3' 110.595 -3.27 . 0.304 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.839 0 C5'-C4'-C3' 109.565 -3.957 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.857 0 C3'-C2'-C1' 103.849 2.609 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . 0.402 ' C8 ' ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.096 0 C5'-C4'-C3' 110.135 -3.576 . 0.147 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . 0.488 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 C5'-C4'-C3' 110.845 -3.103 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 C4'-C3'-C2' 100.145 -2.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.177 -3.523 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 1 C4'-C3'-C2' 98.347 -4.353 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.245 -3.455 . 0.544 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C4'-C3'-C2' 99.514 -3.186 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 99.462 -3.238 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.513 -3.187 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 100.03 -2.67 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mmm . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 121.038 0.447 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -135.92 114.41 11.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 168.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -113.42 142.14 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 C-N-CA 123.324 0.65 . . . . 0.0 109.742 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -161.85 171.1 18.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.923 0.489 . . . . 0.0 110.674 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.4 p -104.95 157.94 16.88 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.601 0.715 . . . . 0.0 110.726 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 4.8 tpm_? -147.09 164.14 34.04 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -124.48 157.39 35.38 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.527 0.603 . . . . 0.0 110.157 172.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -53.05 126.6 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.451 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.28 8.93 54.52 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-O 119.488 -0.618 . . . . 0.0 112.926 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -116.19 177.84 4.54 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.203 1.001 . . . . 0.0 110.016 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -138.82 168.84 18.93 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -171.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -144.02 164.25 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.193 1.797 . . . . 0.0 106.695 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -137.67 151.52 48.35 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 121.723 -0.611 . . . . 0.0 110.811 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -145.77 142.51 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.471 0.708 . . . . 0.0 110.24 -177.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.1 13.96 7.56 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.129 0.871 . . . . 0.0 114.592 172.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 55.62 12.17 0.76 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.49 1.116 . . . . 0.0 113.731 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -139.48 5.71 2.25 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.451 0.7 . . . . 0.0 110.635 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -132.17 148.25 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 12.3 m -138.22 154.25 49.1 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.0 mm -133.36 144.74 35.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m -139.07 128.4 24.17 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -84.86 92.42 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 38.4 mt -69.9 -24.05 63.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.511 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.21 -177.52 39.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 177.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -124.17 162.89 24.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 121.651 0.739 . . . . 0.0 110.67 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.4 t -150.88 59.02 0.92 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.32 -132.53 18.74 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -177.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -65.42 -12.33 51.3 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 118.958 -0.544 . . . . 0.0 110.984 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -98.42 147.76 24.39 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.9 t -135.92 130.91 49.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 -177.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -93.17 127.56 38.78 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -135.39 155.27 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -171.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.66 158.1 22.4 Favored Glycine 0 C--N 1.333 0.4 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 1' ' ' MET . 61.2 mt -135.86 144.59 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -139.23 110.67 7.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.26 160.1 31.85 Favored Pre-proline 0 N--CA 1.45 -0.462 0 C-N-CA 123.49 0.716 . . . . 0.0 109.58 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.81 153.29 78.76 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.031 2.487 . . . . 0.0 109.981 173.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -67.42 -0.35 3.61 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 122.113 -0.367 . . . . 0.0 110.024 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.38 -11.98 54.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.591 1.156 . . . . 0.0 109.962 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 m -139.01 169.61 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.559 1.144 . . . . 0.0 108.354 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.6 158.1 29.31 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.493 0.187 . . . . 0.0 110.861 -175.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -145.47 130.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.34 0.169 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -156.86 164.13 38.41 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 118.024 0.374 . . . . 0.0 110.558 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -64.04 156.22 28.8 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 171.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -60.5 -24.0 64.96 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.254 -0.279 . . . . 0.0 111.457 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -68.82 -50.7 47.9 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.848 -0.532 . . . . 0.0 110.491 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.0 -27.97 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -173.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' C' ' 52' ' ' GLN . 73.7 t80 -61.3 -38.19 85.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 122.649 0.38 . . . . 0.0 110.697 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -71.21 -17.37 62.51 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -81.76 -10.6 59.31 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 122.676 0.391 . . . . 0.0 110.268 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 95.4 mt -110.02 -44.14 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 122.311 0.244 . . . . 0.0 110.374 -173.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.52 ' HG3' ' CZ ' ' C' ' 48' ' ' TYR . 47.2 mm-40 -69.91 1.54 4.36 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.261 -0.274 . . . . 0.0 111.612 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.53 -15.73 63.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.875 0.47 . . . . 0.0 111.476 175.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.13 15.74 0.09 OUTLIER Glycine 0 CA--C 1.529 0.939 0 CA-C-O 118.923 -0.932 . . . . 0.0 114.557 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -154.51 -176.72 6.03 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 118.922 1.361 . . . . 0.0 112.762 -172.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -144.73 6.72 1.23 Allowed 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.043 0.937 . . . . 0.0 110.613 174.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.99 126.17 4.16 Favored Pre-proline 0 N--CA 1.451 -0.421 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -51.83 173.09 0.11 Allowed 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 124.407 3.405 . . . . 0.0 113.91 173.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.232 0.184 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.251 -178.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 100.138 -2.562 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C4'-C3'-C2' 99.156 -3.544 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.394 0 C4'-C3'-C2' 99.331 -3.369 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 99.67 -3.03 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 C4'-C3'-C2' 99.037 -3.663 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C4'-C3'-C2' 99.205 -3.495 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 O4'-C1'-N19 111.388 3.188 . 0.594 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O4'-C1'-N19 111.515 3.315 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 111.395 3.195 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.349 -3.351 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C3'-C2'-C1' 103.876 2.64 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 0 C5'-C4'-C3' 111.686 -2.543 . 0.152 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 1 C5'-C4'-C3' 108.237 -4.842 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C5'-C4'-C3' 110.515 -3.324 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.368 -3.332 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 1 C4'-C3'-C2' 98.659 -4.041 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.345 -3.355 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.672 -3.028 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.374 -3.326 . 0.863 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.274 -3.426 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.897 -2.803 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.411 ' CE ' ' C6 ' ' B' ' 67' ' ' ' C' . 13.4 ttp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 119.71 -0.186 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -119.43 125.46 49.01 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.4 HD11 " H5'" ' B' ' 67' ' ' ' C' . 4.6 mp -125.8 144.36 36.15 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 123.244 0.618 . . . . 0.0 110.137 -170.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.39 168.66 24.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.716 0.806 . . . . 0.0 109.389 174.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.7 p -104.31 157.34 17.21 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.868 174.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 2.4 tpm_? -147.39 139.15 24.12 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -86.0 156.32 20.49 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -58.45 133.79 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.084 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.16 4.99 60.97 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.411 -0.661 . . . . 0.0 112.857 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -114.46 177.59 4.59 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.248 1.024 . . . . 0.0 110.401 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -137.26 171.29 14.71 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -169.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.4 mt -144.7 166.76 11.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 126.589 1.956 . . . . 0.0 106.727 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -142.34 154.26 44.52 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 121.568 -0.708 . . . . 0.0 112.119 -176.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.8 mt -146.5 151.08 14.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 C-N-CA 123.815 0.846 . . . . 0.0 110.2 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 15.19 9.72 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.457 1.027 . . . . 0.0 114.9 169.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 55.96 12.01 0.83 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.225 1.01 . . . . 0.0 113.581 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -144.74 8.02 1.28 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.543 0.737 . . . . 0.0 111.157 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.22 149.82 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-O 121.447 0.641 . . . . 0.0 109.659 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -137.07 150.31 47.96 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.5 mm -132.91 146.5 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -143.22 126.7 16.82 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -80.25 89.39 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.64 -29.79 70.8 Favored 'General case' 0 C--N 1.338 0.083 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.513 -171.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.38 -178.54 40.85 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.5 m -129.98 161.58 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-O 121.094 0.473 . . . . 0.0 110.769 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -150.3 73.16 1.13 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.02 -137.89 26.01 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -175.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -66.23 -14.26 61.66 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.124 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -83.03 151.62 25.74 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 118.741 0.701 . . . . 0.0 109.162 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.6 t -142.97 127.89 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.0 ttm-85 -96.3 132.69 41.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -132.85 147.21 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -170.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.13 149.87 18.72 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.3 mt -138.26 144.08 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.414 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -144.65 106.11 4.24 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.68 158.07 37.9 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.468 0.707 . . . . 0.0 109.547 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.8 151.25 86.41 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 123.05 2.5 . . . . 0.0 110.305 175.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HE3' " H2'" ' D' ' 65' ' ' ' G' . 18.3 mmtm -64.76 -7.14 9.79 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.049 -0.407 . . . . 0.0 110.661 176.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.75 -7.2 19.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.119 0.968 . . . . 0.0 110.928 174.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.89 169.03 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.36 155.73 30.18 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.99 -0.444 . . . . 0.0 111.23 -173.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.4 m -146.33 126.6 6.06 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -158.3 169.89 23.47 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 121.776 -0.577 . . . . 0.0 111.534 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.456 ' HA ' HD13 ' C' ' 12' ' ' ILE . 34.4 mtm180 -68.49 153.09 44.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 170.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -58.71 -28.8 66.14 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.724 0.41 . . . . 0.0 111.54 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.54 -43.24 77.09 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.55 0.34 . . . . 0.0 110.897 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -75.81 -27.63 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -176.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.48 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 82.9 t80 -61.05 -33.62 73.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.327 0.651 . . . . 0.0 111.413 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.64 -17.69 62.24 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 117.985 0.357 . . . . 0.0 111.772 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -86.42 -8.81 57.33 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.819 0.447 . . . . 0.0 110.093 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.7 mt -110.84 -33.21 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.145 0.578 . . . . 0.0 110.297 -174.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.48 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 78.9 mm-40 -82.5 3.34 28.79 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.281 -0.262 . . . . 0.0 110.931 175.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.29 -18.41 63.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.02 20.89 0.09 OUTLIER Glycine 0 C--N 1.342 0.883 0 CA-C-O 118.705 -1.053 . . . . 0.0 114.432 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.78 -26.4 0.41 Allowed 'General case' 0 N--CA 1.461 0.087 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 -172.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 m 33.85 43.66 0.07 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.164 0.986 . . . . 0.0 113.107 -172.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.94 77.18 11.16 Favored Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 123.268 0.627 . . . . 0.0 110.328 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.37 169.92 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 124.308 3.339 . . . . 0.0 113.803 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.818 -179.718 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 99.996 -2.704 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 0 C4'-C3'-C2' 99.084 -3.616 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 0 C4'-C3'-C2' 99.079 -3.621 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 111.287 3.087 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 98.726 -3.974 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.882 -2.818 . 0.519 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.946 -2.754 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 100.095 -2.605 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 1 C3'-C2'-C1' 105.52 4.467 OUTLIER-DELTA 0.15 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 C4'-C3'-C2' 99.742 -2.958 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . 0.569 " H2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 C3'-C2'-C1' 104.056 2.84 . 0.483 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . 0.569 H5'' " H2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.253 2 O5'-C5'-C4' 117.316 5.083 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . 0.494 " C5'" " H4'" ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.068 1 P-O3'-C3' 124.721 4.184 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.943 -2.757 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C4'-C3'-C2' 98.768 -3.932 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C4'-C3'-C2' 99.512 -3.188 . 0.595 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.97 -2.73 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.549 -3.151 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.392 -3.308 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C4'-C3'-C2' 99.973 -2.727 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.7 mmm . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.851 0.358 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.88 114.27 11.65 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 168.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -114.1 143.92 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.71 0.804 . . . . 0.0 110.223 -172.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -164.84 -178.66 5.36 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.177 0.591 . . . . 0.0 110.56 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.9 p -121.11 157.32 30.38 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.345 0.593 . . . . 0.0 111.561 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.421 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.2 OUTLIER -146.61 165.3 29.92 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.029 1.732 . . . . 0.0 107.594 176.625 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -117.92 161.53 19.61 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 170.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.507 HG11 HG12 ' C' ' 25' ' ' VAL . 27.7 m -49.8 130.22 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 O-C-N 123.047 0.217 . . . . 0.0 110.972 178.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.19 6.94 59.83 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 119.482 -0.621 . . . . 0.0 113.042 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -111.84 175.34 5.47 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.106 0.953 . . . . 0.0 110.409 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -139.28 168.61 19.45 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 44' ' ' ARG . 37.4 mm -140.39 163.01 23.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 126.565 1.946 . . . . 0.0 106.428 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -132.91 153.47 51.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.559 0.618 . . . . 0.0 111.1 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.2 mt -140.11 138.89 37.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.55 -133.15 51.88 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -176.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -138.31 16.85 2.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.198 0.599 . . . . 0.0 110.224 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -141.33 6.92 1.94 Allowed 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.732 0.813 . . . . 0.0 111.75 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.17 145.66 35.05 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 CA-C-N 118.918 0.781 . . . . 0.0 110.351 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 20.2 m -139.77 155.7 47.16 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.9 mm -136.36 148.08 27.48 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.3 m -144.14 131.16 20.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -81.99 97.41 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -72.52 -28.58 62.96 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -171.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.6 177.76 42.22 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 121.748 -0.263 . . . . 0.0 112.844 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.507 HG12 HG11 ' C' ' 8' ' ' VAL . 13.8 p -142.01 139.76 30.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.454 0.701 . . . . 0.0 110.509 -178.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.5 m -151.08 118.36 5.98 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.83 -144.48 34.67 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -173.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -79.36 -4.97 53.47 Favored 'General case' 0 N--CA 1.458 -0.069 0 CA-C-N 117.359 0.579 . . . . 0.0 111.856 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -88.29 143.44 27.03 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.339 0.59 . . . . 0.0 109.679 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 34.9 t -133.93 121.28 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.574 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -87.09 127.18 35.13 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -132.63 152.55 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -172.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.09 154.86 17.2 Favored Glycine 0 C--N 1.335 0.506 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.5 mt -138.29 136.7 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -137.24 103.05 4.99 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -172.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.68 161.66 28.94 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 123.765 0.826 . . . . 0.0 109.721 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -66.82 154.7 73.63 Favored 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.113 2.542 . . . . 0.0 110.238 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -67.32 -0.2 3.37 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 122.016 -0.427 . . . . 0.0 110.395 173.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -66.57 -10.8 48.97 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.472 1.109 . . . . 0.0 110.454 173.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -137.16 169.1 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.557 1.143 . . . . 0.0 108.274 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.15 156.01 34.57 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.535 0.207 . . . . 0.0 110.955 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.3 133.99 19.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -154.06 159.91 41.76 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.388 0.613 . . . . 0.0 111.541 176.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -61.17 144.87 52.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.22 -23.94 62.73 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -172.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.23 -23.07 47.56 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.823 -0.548 . . . . 0.0 111.542 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.9 -28.75 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.194 0.598 . . . . 0.0 109.443 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.487 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 79.0 t80 -63.83 -36.63 84.53 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.426 1.091 . . . . 0.0 111.527 -176.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -70.44 -15.72 62.86 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -80.88 -9.93 59.77 Favored 'General case' 0 CA--C 1.523 -0.089 0 C-N-CA 122.822 0.449 . . . . 0.0 110.054 175.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 90.2 mt -110.59 -42.67 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 123.173 0.589 . . . . 0.0 110.79 -174.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.487 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 68.8 mm-40 -69.07 1.12 3.8 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 121.987 -0.446 . . . . 0.0 111.666 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.13 -16.75 63.83 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.004 0.522 . . . . 0.0 111.617 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.89 15.09 0.08 OUTLIER Glycine 0 CA--C 1.527 0.816 0 CA-C-O 119.0 -0.889 . . . . 0.0 114.288 176.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -155.11 -176.83 6.14 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.021 1.411 . . . . 0.0 112.431 -171.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 24.7 p -147.94 0.88 0.65 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.034 0.934 . . . . 0.0 111.213 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.32 72.0 5.02 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 122.767 0.427 . . . . 0.0 110.868 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.4 171.85 0.37 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 124.012 3.141 . . . . 0.0 114.108 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 28.8 t70 . . . . . 0 CA--C 1.531 0.228 0 C-N-CA 123.816 0.846 . . . . 0.0 111.901 -179.869 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.157 -3.543 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.226 -3.474 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.308 -3.392 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 O4'-C1'-N19 111.348 3.148 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.154 -3.546 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 C4'-C3'-C2' 99.119 -3.581 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.763 -2.937 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 0 C4'-C3'-C2' 99.803 -2.897 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 O4'-C1'-N19 111.257 3.057 . 0.277 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C5'-C4'-C3' 109.825 -3.784 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . 0.453 " H2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.952 1 C3'-C2'-C1' 105.163 4.069 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 C5'-C4'-C3' 111.676 -2.55 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 1 C5'-C4'-C3' 104.78 -7.147 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 1 P-O3'-C3' 125.828 5.106 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 C4'-C3'-C2' 99.137 -3.563 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 98.868 -3.832 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.223 -3.477 . 0.548 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C4'-C3'-C2' 99.836 -2.864 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 99.373 -3.327 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.429 -3.271 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 O4'-C1'-N19 111.197 2.997 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.463 ' HE1' ' HA3' ' C' ' 33' ' ' GLY . 1.6 mmm . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 119.92 -0.086 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -128.91 112.93 14.61 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.5 mp -107.06 149.84 10.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 124.392 1.077 . . . . 0.0 110.124 -171.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt -149.47 177.92 9.27 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 124.117 0.967 . . . . 0.0 111.161 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -127.35 120.03 27.59 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 167.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.421 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 9.4 mmp_? -117.19 164.0 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.082 172.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -110.8 152.99 25.99 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.1 m -56.79 116.63 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.203 0.525 . . . . 0.0 110.146 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.18 -17.71 19.17 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.805 0.717 . . . . 0.0 112.186 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -79.51 174.34 11.68 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 117.6 0.7 . . . . 0.0 111.063 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.5 m -139.02 165.47 27.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.255 0.55 . . . . 0.0 111.512 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' C' ' 44' ' ' ARG . 32.4 mm -143.29 161.09 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.966 1.706 . . . . 0.0 107.156 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -135.37 155.76 50.06 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.381 0.61 . . . . 0.0 111.354 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.3 mt -141.04 147.7 22.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 114.481 -1.236 . . . . 0.0 108.786 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.7 -136.49 47.32 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -133.16 12.32 4.24 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -146.28 11.54 1.17 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.557 0.743 . . . . 0.0 112.132 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.96 146.19 34.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 119.026 0.83 . . . . 0.0 110.681 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.8 m -139.8 155.52 47.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.161 0.985 . . . . 0.0 108.352 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -137.09 148.59 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -177.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -143.44 129.73 19.87 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -83.97 100.52 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -74.6 -26.89 60.21 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -171.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.96 -176.84 39.93 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.638 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.93 162.25 36.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 121.062 0.458 . . . . 0.0 110.866 177.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -150.97 68.78 0.95 Allowed 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.37 -135.88 22.89 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.65 -16.29 63.59 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 118.677 -0.678 . . . . 0.0 110.536 177.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.433 ' HA ' ' HG2' ' C' ' 7' ' ' LYS . 3.3 tp-100 -82.76 147.73 28.25 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 118.802 0.728 . . . . 0.0 109.301 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -141.19 121.53 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -91.56 130.35 37.39 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -134.08 155.26 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -172.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.65 156.45 20.56 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.199 -1.16 . . . . 0.0 110.199 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.2 mt -135.57 144.53 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -139.84 107.75 5.69 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.38 161.8 28.3 Favored Pre-proline 0 N--CA 1.452 -0.351 0 C-N-CA 123.651 0.78 . . . . 0.0 108.997 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.88 154.27 74.63 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.794 2.329 . . . . 0.0 110.129 174.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -68.94 0.19 4.78 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 121.971 -0.456 . . . . 0.0 109.86 173.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.32 -9.95 38.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.371 1.069 . . . . 0.0 110.625 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -136.1 169.55 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.513 1.125 . . . . 0.0 108.787 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.27 154.64 31.94 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.273 -0.267 . . . . 0.0 110.863 -176.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -144.86 132.95 16.99 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -156.58 160.84 39.82 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.793 0.33 . . . . 0.0 110.472 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -64.01 149.65 46.96 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 170.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -58.25 -23.68 56.85 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.79 -32.96 70.22 Favored 'General case' 0 N--CA 1.457 -0.095 0 O-C-N 121.978 -0.451 . . . . 0.0 111.114 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -90.33 -34.63 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 C-N-CA 122.723 0.409 . . . . 0.0 109.958 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.457 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 85.6 t80 -54.15 -36.69 63.59 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.858 0.863 . . . . 0.0 111.874 -176.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -60.85 -15.31 28.98 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -176.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -83.83 -40.85 18.17 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.2 mp -68.66 -16.38 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.938 0.895 . . . . 0.0 109.923 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 57.2 mm-40 -103.42 3.45 35.06 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 177.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -137.95 -4.95 1.72 Allowed 'General case' 0 C--N 1.342 0.27 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -174.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.32 -10.8 0.03 OUTLIER Glycine 0 CA--C 1.526 0.76 0 CA-C-N 119.392 0.997 . . . . 0.0 112.856 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 72.93 166.63 0.3 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.825 1.65 . . . . 0.0 111.658 169.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.6 p -142.22 8.77 1.84 Allowed 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.392 0.677 . . . . 0.0 111.142 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.08 60.37 4.28 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 122.765 0.426 . . . . 0.0 111.667 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -46.57 -32.54 11.73 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 124.181 3.254 . . . . 0.0 114.196 177.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t0 . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -174.643 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 C4'-C3'-C2' 99.348 -3.352 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 C4'-C3'-C2' 99.182 -3.518 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.306 -3.394 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 C4'-C3'-C2' 99.105 -3.595 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.137 -3.563 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.969 0 O4'-C1'-N19 110.901 2.701 . 0.585 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 O4'-C1'-N19 111.36 3.16 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 C4'-C3'-C2' 99.463 -3.237 . 0.658 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C5'-C4'-C3' 110.811 -3.126 . 0.297 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C5'-C4'-C3' 110.174 -3.551 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O4'-C1'-N19 110.792 2.592 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . 0.607 " H2'" H5'' ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C3'-C2'-C1' 104.599 3.443 . 0.498 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . 0.607 H5'' " H2'" ' B' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.452 2 O5'-C5'-C4' 118.273 5.766 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . 0.587 " C5'" " H4'" ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.024 1 P-O3'-C3' 125.15 4.541 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.25 -3.45 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 1 C4'-C3'-C2' 98.509 -4.191 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.265 -3.435 . 0.557 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C4'-C3'-C2' 99.901 -2.799 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.42 -3.28 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 C4'-C3'-C2' 99.524 -3.176 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.909 -2.791 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.505 ' HG2' HD11 ' C' ' 3' ' ' ILE . 13.7 tpp . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 120.439 0.161 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.2 tm? -126.83 106.77 9.57 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 171.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.505 HD11 ' HG2' ' C' ' 1' ' ' MET . 5.0 mp -100.6 142.28 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 124.114 0.966 . . . . 0.0 110.428 -175.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.59 170.05 20.52 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.19 0.596 . . . . 0.0 110.706 175.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -105.59 157.99 17.01 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.266 0.555 . . . . 0.0 111.838 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 3.0 tpm_? -147.95 164.17 34.57 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.724 1.21 . . . . 0.0 108.004 174.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.433 ' HG2' ' HA ' ' A' ' 29' ' ' GLN . 39.1 mtmt -121.87 161.31 23.0 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 118.504 0.593 . . . . 0.0 110.196 174.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.521 HG11 HG12 ' C' ' 25' ' ' VAL . 35.0 m -51.94 133.29 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.335 -176.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.23 4.98 66.03 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 119.414 -0.659 . . . . 0.0 113.301 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -114.12 -177.86 3.23 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.432 1.116 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 20.0 m -139.16 171.56 14.12 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -171.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.401 HG22 ' N ' ' C' ' 13' ' ' ASN . 62.8 mt -144.43 166.56 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 126.635 1.974 . . . . 0.0 106.827 -179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . 0.401 ' N ' HG22 ' C' ' 12' ' ' ILE . 22.1 m120 -140.67 153.12 45.86 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.722 0.692 . . . . 0.0 112.452 -176.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -148.12 149.29 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.23 1.012 . . . . 0.0 110.093 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.69 14.72 5.42 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.652 1.12 . . . . 0.0 115.354 170.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 55.1 11.77 0.56 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -143.13 8.91 1.66 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.615 0.766 . . . . 0.0 110.543 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.37 148.63 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.1 m -136.92 149.61 47.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.1 mm -130.29 148.96 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -140.37 149.6 42.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -175.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -111.53 84.78 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.61 -23.5 67.28 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.154 -170.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.26 179.23 41.64 Favored Glycine 0 C--N 1.335 0.498 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.521 HG12 HG11 ' C' ' 8' ' ' VAL . 11.6 p -132.38 144.97 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -147.2 66.58 1.14 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.1 0.96 . . . . 0.0 108.585 -174.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.18 -138.44 26.63 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.95 -10.05 35.56 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.162 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -102.2 148.09 25.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 119.235 0.925 . . . . 0.0 109.37 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.8 t -138.99 128.86 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -175.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -90.4 126.43 35.88 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -128.73 152.26 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.545 -169.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.463 ' HA3' ' HE1' ' A' ' 1' ' ' MET . . . -121.94 153.46 16.78 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -139.97 140.85 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -144.4 104.6 4.1 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.37 159.68 41.26 Favored Pre-proline 0 N--CA 1.453 -0.315 0 C-N-CA 124.118 0.967 . . . . 0.0 109.222 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -63.83 150.25 88.85 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 122.553 2.169 . . . . 0.0 110.131 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -68.7 -1.12 6.23 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.243 -0.285 . . . . 0.0 110.343 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -67.74 -8.13 32.97 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.018 0.927 . . . . 0.0 110.914 171.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -135.55 169.3 21.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 176.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.52 160.25 27.39 Favored 'General case' 0 N--CA 1.457 -0.083 0 O-C-N 122.045 -0.41 . . . . 0.0 111.133 -173.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 m -144.02 134.39 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -157.15 168.24 28.01 Favored 'General case' 0 N--CA 1.46 0.061 0 CA-C-N 117.836 0.289 . . . . 0.0 110.437 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.472 ' HA ' HD13 ' A' ' 12' ' ' ILE . 77.3 ttt180 -67.02 154.4 41.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 172.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -56.54 -23.97 43.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.271 0.628 . . . . 0.0 111.994 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.26 -47.45 23.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.635 0.255 . . . . 0.0 110.753 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 mm -71.02 -30.59 41.97 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.073 0 O-C-N 122.016 -0.428 . . . . 0.0 109.968 -176.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.477 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 83.1 t80 -59.16 -34.95 72.69 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.17 0.988 . . . . 0.0 112.008 -176.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -71.54 -16.76 62.33 Favored 'General case' 0 CA--C 1.528 0.132 0 O-C-N 122.081 -0.387 . . . . 0.0 111.953 -177.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -85.76 -7.52 58.71 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 122.88 0.472 . . . . 0.0 110.161 175.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 92.2 mt -110.63 -42.08 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 122.563 0.345 . . . . 0.0 110.884 -173.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.477 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 80.5 mm-40 -70.94 2.1 4.77 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.745 -0.597 . . . . 0.0 111.76 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.4 -16.03 63.77 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.944 0.498 . . . . 0.0 112.156 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.13 15.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 CA-C-O 119.364 -0.687 . . . . 0.0 113.973 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -153.49 -171.14 3.81 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.656 1.228 . . . . 0.0 111.443 -173.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 32.0 m -146.42 127.14 14.31 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 122.399 0.279 . . . . 0.0 110.668 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 22.03 65.59 0.32 Allowed Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 126.407 1.883 . . . . 0.0 114.836 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.62 172.81 0.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.828 3.019 . . . . 0.0 113.825 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.508 176.946 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.915 -2.785 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.192 -3.508 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 99.331 -3.369 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C4'-C3'-C2' 99.42 -3.28 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 C4'-C3'-C2' 98.99 -3.71 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 98.883 -3.817 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.497 0 O4'-C1'-N19 111.436 3.236 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 C4'-C3'-C2' 100.043 -2.657 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.453 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.671 1 C5'-C4'-C3' 109.111 -4.259 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . 0.453 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C5'-C4'-C3' 111.424 -2.717 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 0 O4'-C1'-N19 110.811 2.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 0 C5'-C4'-C3' 111.17 -2.886 . 0.15 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.887 1 C5'-C4'-C3' 108.717 -4.522 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.523 0 C5'-C4'-C3' 110.231 -3.513 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.539 -3.161 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.035 -3.665 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C4'-C3'-C2' 99.541 -3.159 . 0.56 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.771 -2.929 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.532 -3.168 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.475 -3.225 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 100.177 -2.523 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.559 ' HG2' HD11 ' A' ' 3' ' ' ILE . 16.0 tpp . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.189 0.042 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 1' ' ' MET . 3.1 tm? -127.41 104.92 8.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 171.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.559 HD11 ' HG2' ' A' ' 1' ' ' MET . 4.7 mp -96.35 151.15 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.465 1.106 . . . . 0.0 110.172 -174.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.2 mt -149.82 175.34 11.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.065 0.946 . . . . 0.0 111.612 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -127.35 122.02 32.57 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 168.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -122.31 140.99 52.0 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -84.98 151.82 23.92 Favored 'General case' 0 CA--C 1.522 -0.104 0 C-N-CA 122.84 0.456 . . . . 0.0 110.142 176.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.665 HG11 HG12 ' A' ' 25' ' ' VAL . 14.1 m -56.55 125.72 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.82 3.7 45.85 Favored Glycine 0 CA--C 1.531 1.054 0 CA-C-O 119.46 -0.633 . . . . 0.0 113.351 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -116.12 -176.51 2.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.364 1.082 . . . . 0.0 110.985 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.9 m -138.76 170.66 15.59 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -172.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.0 mm -144.02 166.63 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.92 2.088 . . . . 0.0 106.955 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -135.49 153.8 51.62 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 119.071 0.851 . . . . 0.0 112.062 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -140.34 143.38 29.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.295 1.038 . . . . 0.0 108.718 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.95 -137.29 44.24 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -175.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -135.12 15.68 3.51 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -142.73 9.34 1.76 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.493 0.717 . . . . 0.0 111.535 -177.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.52 147.39 32.69 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 CA-C-N 118.628 0.649 . . . . 0.0 109.914 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -139.29 155.24 47.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.9 mm -133.3 148.89 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 m -141.72 149.12 40.09 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -111.98 84.91 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.668 1.187 . . . . 0.0 107.841 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.75 -24.46 67.57 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 -169.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.94 -174.41 44.1 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 120.336 -0.935 . . . . 0.0 113.267 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.665 HG12 HG11 ' A' ' 8' ' ' VAL . 9.6 p -147.19 137.26 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.489 0.716 . . . . 0.0 110.173 -174.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.7 m -151.65 110.64 3.88 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 124.095 0.958 . . . . 0.0 108.562 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.18 -142.2 36.21 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -173.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.414 HE21 HG21 ' C' ' 8' ' ' VAL . 11.6 mm100 -72.44 -12.93 61.31 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.103 0.952 . . . . 0.0 110.905 175.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.56 153.78 38.89 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.452 0.644 . . . . 0.0 110.088 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -149.22 117.68 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -84.42 133.95 34.48 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -132.78 155.01 40.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -170.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.41 149.82 18.38 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' C' ' 1' ' ' MET . 72.9 mt -137.86 144.18 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -144.29 104.31 4.08 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -174.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.29 160.75 30.56 Favored Pre-proline 0 N--CA 1.451 -0.402 0 C-N-CA 123.604 0.762 . . . . 0.0 109.834 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -66.57 157.03 62.75 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.392 2.728 . . . . 0.0 110.398 174.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HE3' ' C5 ' ' D' ' 65' ' ' ' G' . 14.2 mmmm -67.95 -0.13 4.06 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.014 0.435 . . . . 0.0 110.404 173.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.52 -9.2 32.37 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.269 1.028 . . . . 0.0 110.205 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -137.88 169.29 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.03 156.37 36.63 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 122.11 -0.369 . . . . 0.0 110.756 -174.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.76 129.12 10.48 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -155.37 160.78 40.97 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 122.142 -0.348 . . . . 0.0 111.155 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.6 tpt85 -57.43 145.31 33.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 171.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -58.22 -32.0 67.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.063 0.392 . . . . 0.0 111.658 -176.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -71.93 -38.77 69.8 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.256 -0.277 . . . . 0.0 110.748 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.47 -31.73 43.93 Favored 'Isoleucine or valine' 0 C--O 1.23 0.079 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.51 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 76.6 t80 -59.25 -36.72 76.01 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.232 0.613 . . . . 0.0 111.045 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.43 -16.48 63.5 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.946 0.339 . . . . 0.0 111.844 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -86.47 -10.12 54.83 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 123.072 0.549 . . . . 0.0 110.085 177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.6 mt -110.51 -33.17 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.305 0.642 . . . . 0.0 110.681 -174.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 61.4 mm-40 -82.71 3.07 30.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.038 -0.414 . . . . 0.0 111.198 176.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.29 -18.52 63.68 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.078 0.551 . . . . 0.0 112.413 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.62 21.3 0.11 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-O 118.955 -0.914 . . . . 0.0 114.008 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 56' ' ' THR . 0.9 OUTLIER -146.15 -26.3 0.44 Allowed 'General case' 0 C--N 1.34 0.176 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -172.035 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.411 ' N ' HD12 ' A' ' 55' ' ' LEU . 2.7 m 33.56 43.18 0.05 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.133 0.973 . . . . 0.0 112.553 -172.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.97 79.52 8.42 Favored Pre-proline 0 N--CA 1.454 -0.231 0 C-N-CA 123.846 0.858 . . . . 0.0 109.372 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.47 -40.94 18.14 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 124.391 3.394 . . . . 0.0 114.345 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -177.785 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.365 -3.335 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 C4'-C3'-C2' 99.199 -3.501 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.497 0 C4'-C3'-C2' 99.364 -3.336 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.191 -3.509 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 C4'-C3'-C2' 98.928 -3.772 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 C4'-C3'-C2' 99.727 -2.973 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.771 -2.929 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.377 0 C4'-C3'-C2' 99.358 -3.342 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C5'-C4'-C3' 111.212 -2.859 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 99.346 -3.354 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C3'-C2'-C1' 103.956 2.729 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . 0.407 ' C8 ' HD12 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 C5'-C4'-C3' 110.714 -3.191 . 0.122 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 1 C5'-C4'-C3' 105.717 -6.522 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . 0.515 " H5'" HD13 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.002 1 P-O3'-C3' 125.605 4.921 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.385 -3.315 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 98.818 -3.882 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 99.318 -3.382 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C4'-C3'-C2' 99.958 -2.742 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 99.572 -3.128 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.439 -3.261 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 110.867 2.667 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.405 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.34 118.12 16.14 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -110.53 149.32 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.368 0.667 . . . . 0.0 109.541 -171.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -150.65 177.98 9.53 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 123.258 0.623 . . . . 0.0 111.518 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.68 125.44 33.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 167.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.579 HH21 HG22 ' C' ' 22' ' ' ILE . 4.6 ttp180 -131.94 174.76 9.83 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.52 171.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -140.99 167.0 23.24 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.961 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.414 HG21 HE21 ' A' ' 28' ' ' GLN . 7.9 m -51.9 135.83 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 O-C-N 123.82 0.7 . . . . 0.0 112.464 -168.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.24 -5.2 74.83 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.351 -0.694 . . . . 0.0 113.701 176.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -96.91 177.36 5.65 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.387 1.093 . . . . 0.0 111.533 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -143.5 166.61 24.33 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 17.0 mt -143.16 162.83 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 126.261 1.824 . . . . 0.0 108.37 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -127.26 149.34 50.05 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.045 0.384 . . . . 0.0 110.712 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -145.14 144.59 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 123.236 0.615 . . . . 0.0 110.413 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.4 12.95 6.68 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 124.177 0.894 . . . . 0.0 114.513 172.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t70 55.62 12.72 0.85 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.294 1.038 . . . . 0.0 113.39 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -142.18 6.71 1.75 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.388 0.675 . . . . 0.0 110.619 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.5 148.45 30.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -138.54 153.22 48.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -132.65 144.07 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -176.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -135.73 148.0 48.67 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.579 HG22 HH21 ' C' ' 6' ' ' ARG . 1.6 tp -106.18 89.59 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 -178.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.1 -23.48 65.84 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.241 -167.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.77 179.43 36.43 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.939 -0.465 . . . . 0.0 111.939 175.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -121.71 162.8 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-O 121.371 0.605 . . . . 0.0 110.652 175.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -151.53 59.93 0.88 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.501 1.12 . . . . 0.0 108.067 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.42 -134.55 19.6 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.52 -11.1 40.55 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.077 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -100.25 147.62 25.55 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.068 0.849 . . . . 0.0 109.123 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -137.33 130.65 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -94.36 126.85 39.87 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -133.16 154.72 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -171.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.1 154.99 20.53 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.8 mt -136.7 144.98 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -141.57 109.74 5.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.2 160.63 31.64 Favored Pre-proline 0 N--CA 1.454 -0.245 0 C-N-CA 123.604 0.762 . . . . 0.0 109.537 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.05 154.38 74.75 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.115 2.543 . . . . 0.0 110.521 173.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.57 -0.55 3.96 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-O 120.887 0.375 . . . . 0.0 110.623 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.49 -11.7 53.76 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.378 1.071 . . . . 0.0 110.119 173.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.69 169.47 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.682 1.193 . . . . 0.0 108.36 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.21 160.68 23.34 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 122.317 -0.24 . . . . 0.0 111.537 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -147.83 132.61 10.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 176.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -152.83 164.08 38.52 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-O 120.917 0.389 . . . . 0.0 111.225 176.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -62.48 148.38 45.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 170.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -60.29 -31.88 70.67 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.027 0.376 . . . . 0.0 110.737 -176.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.09 -42.56 80.17 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.09 0.556 . . . . 0.0 110.413 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.36 -38.2 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 C-N-CA 122.868 0.467 . . . . 0.0 109.9 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.467 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 91.2 t80 -53.02 -36.31 60.39 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.11 0.964 . . . . 0.0 111.715 -175.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -61.19 -14.49 25.68 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -86.09 -43.28 13.21 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 118.612 0.642 . . . . 0.0 109.468 175.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.539 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.1 mp -66.58 -16.45 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 123.524 0.729 . . . . 0.0 110.366 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.467 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 75.3 mm-40 -104.27 3.13 32.31 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 176.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.72 -3.79 1.45 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -175.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.48 -8.97 0.03 OUTLIER Glycine 0 CA--C 1.528 0.86 0 CA-C-N 119.232 0.924 . . . . 0.0 113.287 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.51 ' N ' ' CD1' ' C' ' 55' ' ' LEU . 0.1 OUTLIER 69.33 179.51 0.24 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.039 1.336 . . . . 0.0 111.635 169.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 13.9 t -147.8 165.48 30.45 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.255 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 33.64 59.37 1.82 Allowed Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 124.974 1.31 . . . . 0.0 113.224 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -49.48 -30.94 22.39 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 123.892 3.061 . . . . 0.0 113.915 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 122.808 0.443 . . . . 0.0 110.087 -176.288 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C5'-C4'-C3' 111.245 -2.836 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C4'-C3'-C2' 99.312 -3.388 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.163 -3.537 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.601 -3.099 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 1 C4'-C3'-C2' 98.562 -4.138 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 O4'-C1'-N19 111.476 3.276 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 111.425 3.225 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 O4'-C1'-N19 110.596 2.396 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.454 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C5'-C4'-C3' 109.953 -3.698 . 0.581 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . 0.454 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 100.054 -2.646 . 0.033 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . 0.426 ' C5 ' ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C3'-C2'-C1' 104.218 3.02 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C5'-C4'-C3' 111.297 -2.802 . 0.03 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 C5'-C4'-C3' 104.997 -7.002 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 1 P-O3'-C3' 125.862 5.135 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 98.801 -3.899 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 1 C4'-C3'-C2' 98.617 -4.083 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 C4'-C3'-C2' 99.299 -3.401 . 0.503 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.919 -2.781 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 99.426 -3.274 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.503 -3.197 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 O4'-C1'-N19 111.022 2.822 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 mmm . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 120.985 0.422 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -135.49 114.26 11.93 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 168.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.95 141.88 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.469 0.708 . . . . 0.0 110.008 -173.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -162.37 178.86 8.29 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.011 0.524 . . . . 0.0 110.802 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -115.07 157.56 23.35 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.292 0.568 . . . . 0.0 110.468 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.449 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.1 tpm_? -148.4 164.54 33.8 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -124.39 159.49 30.28 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.4 m -57.36 141.14 14.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.543 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.05 -9.18 78.47 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.363 0.506 . . . . 0.0 112.926 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -90.1 -176.13 4.77 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 118.035 0.918 . . . . 0.0 111.02 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -140.75 171.32 14.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.322 0.582 . . . . 0.0 112.065 -174.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mt -154.22 164.14 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.962 2.105 . . . . 0.0 107.184 -171.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -143.54 156.56 44.64 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.59 -0.694 . . . . 0.0 112.215 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -140.91 148.04 22.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 124.134 0.974 . . . . 0.0 108.6 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.24 -139.4 34.15 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -130.74 11.79 5.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.256 0.622 . . . . 0.0 109.96 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -144.07 11.81 1.58 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.516 0.726 . . . . 0.0 111.204 -177.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.66 147.16 33.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-N 118.727 0.694 . . . . 0.0 110.403 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.3 m -137.58 153.55 49.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.391 1.076 . . . . 0.0 108.153 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.9 mm -136.89 148.13 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -138.87 148.44 43.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -107.96 86.73 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.29 -24.35 66.54 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.624 -169.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.14 -175.81 38.59 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 118.369 0.531 . . . . 0.0 112.732 175.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.8 m -131.85 165.99 30.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.229 0.538 . . . . 0.0 111.118 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.0 m -151.04 64.37 0.91 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.796 1.239 . . . . 0.0 107.797 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.8 -113.48 3.74 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -81.51 -19.19 42.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.485 ' HG2' ' HE3' ' C' ' 7' ' ' LYS . 9.5 mm-40 -80.08 152.7 29.19 Favored 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 123.707 0.629 . . . . 0.0 110.237 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.2 t -145.81 119.49 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -89.33 128.14 35.86 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -128.3 154.94 39.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -171.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.15 154.35 20.52 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.934 -1.267 . . . . 0.0 109.934 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.3 mt -139.37 144.46 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -177.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -142.9 107.98 4.95 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.92 160.98 30.75 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 123.986 0.915 . . . . 0.0 108.881 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.69 153.84 75.5 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.687 2.258 . . . . 0.0 110.061 174.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -71.78 -0.88 12.18 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.914 -0.491 . . . . 0.0 110.48 176.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -68.66 -6.76 27.83 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.998 0.919 . . . . 0.0 110.35 171.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -135.94 167.49 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.8 158.8 32.48 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.315 -0.241 . . . . 0.0 110.96 -174.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.0 m -144.91 129.84 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -177.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -157.68 160.99 38.55 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.871 -0.518 . . . . 0.0 110.12 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -63.62 156.83 25.52 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.41 -24.05 66.25 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -71.88 -51.81 20.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.766 -0.584 . . . . 0.0 109.876 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.85 -28.97 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 122.868 0.467 . . . . 0.0 109.951 -176.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.444 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 69.7 t80 -64.12 -39.3 93.74 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 122.884 0.473 . . . . 0.0 111.07 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -71.55 -16.32 62.32 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -82.63 -9.78 59.23 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 122.956 0.502 . . . . 0.0 110.261 174.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.3 mt -110.21 -43.95 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 122.687 0.395 . . . . 0.0 110.618 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.444 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 62.3 mm-40 -67.9 -0.45 4.3 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.98 -0.45 . . . . 0.0 111.534 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.54 -16.27 63.52 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.34 0.656 . . . . 0.0 111.472 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.45 15.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.053 -0.859 . . . . 0.0 114.413 176.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -153.91 -176.36 5.81 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.746 1.273 . . . . 0.0 112.758 -172.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.2 p -144.21 8.9 1.43 Allowed 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 124.607 1.163 . . . . 0.0 110.65 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.23 125.12 4.38 Favored Pre-proline 0 N--CA 1.451 -0.393 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -49.01 -33.58 26.72 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 124.259 3.306 . . . . 0.0 114.196 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -175.031 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.746 -2.954 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C4'-C3'-C2' 99.413 -3.287 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.52 -3.18 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 O4'-C1'-N19 111.378 3.178 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 1 C4'-C3'-C2' 98.68 -4.02 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.499 -3.201 . 0.654 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 O4'-C1'-N19 111.29 3.09 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.855 -2.845 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . 0.467 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 O4'-C1'-N19 111.874 3.674 . 0.375 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . 0.467 ' C8 ' " H2'" ' B' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.331 -3.369 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 N19-C1'-C2' 108.569 -3.019 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.352 0 C5'-C4'-C3' 111.806 -2.463 . 0.124 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 C5'-C4'-C3' 105.052 -6.965 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.824 1 P-O3'-C3' 125.544 4.87 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.382 -3.318 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C4'-C3'-C2' 98.961 -3.739 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.458 -3.242 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C4'-C3'-C2' 99.894 -2.806 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.723 -2.977 . 0.874 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.674 -3.026 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 C4'-C3'-C2' 99.89 -2.81 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.475 ' CE ' ' C6 ' ' D' ' 67' ' ' ' C' . 1.7 ttp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.697 0.284 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' C' ' 1' ' ' MET . 3.1 tm? -116.1 119.8 37.01 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 176.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.541 ' CD1' " H4'" ' D' ' 67' ' ' ' C' . 4.5 mp -115.32 142.2 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.046 0.938 . . . . 0.0 109.8 -173.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -161.1 169.65 21.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.192 174.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.2 p -98.31 153.36 18.59 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.384 0.611 . . . . 0.0 110.009 177.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.644 HH22 ' HB ' ' C' ' 22' ' ' ILE . 7.4 mmm-85 -147.29 155.95 42.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.268 1.427 . . . . 0.0 107.551 178.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.485 ' HE3' ' HG2' ' A' ' 29' ' ' GLN . 59.9 mttp -123.01 162.62 22.0 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.385 0.612 . . . . 0.0 111.399 175.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.683 HG11 HG12 ' C' ' 25' ' ' VAL . 15.5 m -51.16 114.53 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 114.611 -1.177 . . . . 0.0 112.05 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . 0.544 ' H ' HG22 ' C' ' 22' ' ' ILE . . . 111.52 -24.11 16.28 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.349 0.5 . . . . 0.0 113.376 173.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . 0.56 ' HB2' HH21 ' C' ' 6' ' ' ARG . 92.5 mt-10 -73.43 -175.75 2.05 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 117.542 0.671 . . . . 0.0 110.806 177.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -143.98 176.09 9.54 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -174.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.554 ' CG1' HH11 ' C' ' 6' ' ' ARG . 4.9 mt -149.62 169.84 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 126.149 1.78 . . . . 0.0 107.889 -176.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . 0.405 ' H ' HG22 ' C' ' 12' ' ' ILE . 23.8 m120 -142.98 151.34 40.78 Favored 'General case' 0 C--N 1.337 0.048 0 C-N-CA 123.138 0.575 . . . . 0.0 110.595 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -147.78 146.02 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.177 0.591 . . . . 0.0 109.954 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.75 14.82 7.91 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.989 0.804 . . . . 0.0 114.864 171.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 56.75 10.92 0.8 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -139.29 7.22 2.38 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.57 0.623 . . . . 0.0 110.474 175.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.23 146.74 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 62.2 m -135.09 146.93 49.36 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -131.33 148.91 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.0 m -140.75 149.34 41.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.644 ' HB ' HH22 ' C' ' 6' ' ' ARG . 0.4 OUTLIER -112.28 118.67 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -92.06 -22.09 20.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.242 -168.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.64 -175.35 39.86 Favored Glycine 0 C--N 1.337 0.634 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.669 172.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.683 HG12 HG11 ' C' ' 8' ' ' VAL . 11.5 p -140.84 139.84 33.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 122.955 0.502 . . . . 0.0 110.904 -175.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.2 m -151.3 113.98 4.66 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.92 -142.65 34.49 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -172.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -78.69 -6.38 55.61 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 117.812 0.806 . . . . 0.0 111.733 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.49 151.87 32.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -146.78 119.64 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -176.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -89.05 136.06 33.22 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -135.65 152.59 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.148 0.579 . . . . 0.0 109.833 -170.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.23 148.97 17.4 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.051 -1.619 . . . . 0.0 109.051 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.4 mt -138.81 144.4 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -144.35 104.46 4.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.6 158.89 39.64 Favored Pre-proline 0 C--O 1.233 0.234 0 C-N-CA 123.717 0.807 . . . . 0.0 109.655 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.0 153.68 77.12 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.008 2.472 . . . . 0.0 110.686 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -70.17 -1.58 10.59 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.947 -0.471 . . . . 0.0 110.851 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -68.58 -8.57 42.9 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.945 0.898 . . . . 0.0 110.436 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -137.72 169.22 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 176.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.7 159.88 24.44 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.821 -0.55 . . . . 0.0 111.104 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.0 m -146.03 130.24 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -158.78 163.2 36.95 Favored 'General case' 0 CA--C 1.522 -0.098 0 O-C-N 122.125 -0.359 . . . . 0.0 110.575 175.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -65.72 158.1 28.39 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 168.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.54 -23.64 58.77 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -174.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -66.29 -48.07 71.57 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.149 -0.344 . . . . 0.0 111.069 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.4 mm -79.87 -26.81 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -174.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -59.61 -27.55 66.41 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.739 0.416 . . . . 0.0 111.341 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -70.92 -13.06 61.88 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 122.004 -0.435 . . . . 0.0 112.059 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . 0.492 ' C ' HD12 ' C' ' 51' ' ' ILE . 10.2 mpt_? -82.17 -9.39 59.53 Favored 'General case' 0 C--O 1.225 -0.209 0 O-C-N 121.935 -0.478 . . . . 0.0 109.908 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.499 ' N ' HD12 ' C' ' 51' ' ' ILE . 1.6 mp -110.87 -12.69 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.081 0.953 . . . . 0.0 108.878 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -115.12 -14.14 11.79 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.261 0.625 . . . . 0.0 112.636 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -141.06 -2.11 1.32 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -141.17 -3.99 1.15 Allowed Glycine 0 CA--C 1.528 0.865 0 CA-C-N 118.47 0.577 . . . . 0.0 112.198 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.451 HD13 ' H ' ' C' ' 55' ' ' LEU . 0.8 OUTLIER 30.49 55.85 0.19 Allowed 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 126.637 1.975 . . . . 0.0 113.663 179.121 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 72.2 p -68.19 -3.96 12.34 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.147 -0.345 . . . . 0.0 111.339 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.3 74.7 9.77 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 124.558 1.143 . . . . 0.0 108.884 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.64 174.04 0.21 Allowed 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 124.998 3.798 . . . . 0.0 113.916 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 N--CA 1.453 -0.282 0 C-N-CA 123.459 0.704 . . . . 0.0 112.097 179.833 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.928 -2.772 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 99.348 -3.352 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.249 -3.451 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.943 0 C4'-C3'-C2' 99.398 -3.302 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 98.987 -3.713 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 C4'-C3'-C2' 99.622 -3.078 . 0.624 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 O4'-C1'-N19 111.565 3.365 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 O4'-C1'-N19 111.056 2.856 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.422 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.858 1 O4'-C1'-N19 112.351 4.151 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . 0.422 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C4'-C3'-C2' 100.072 -2.628 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 110.725 2.525 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . 0.437 ' C6 ' " H1'" ' D' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C5'-C4'-C3' 111.799 -2.467 . 0.42 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . 0.541 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.065 0 C5'-C4'-C3' 111.011 -2.993 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . 0.437 " H1'" ' C6 ' ' D' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.92 0 C4'-C3'-C2' 100.342 -2.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 99.714 -2.986 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.078 -3.622 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.2 -3.5 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.683 -3.017 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.563 -3.137 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C4'-C3'-C2' 99.418 -3.282 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 O4'-C1'-N19 111.01 2.81 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 mmm . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 120.707 0.289 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -135.6 114.18 11.77 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 167.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.415 HD13 " H5'" ' B' ' 68' ' ' ' G' . 4.4 mp -105.9 150.5 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.524 0.73 . . . . 0.0 110.02 -172.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.93 163.75 39.2 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.882 0.873 . . . . 0.0 109.524 -171.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.82 145.04 50.4 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.448 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 6.0 mmp_? -145.73 150.41 36.2 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 123.387 0.675 . . . . 0.0 109.551 177.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -89.53 157.22 18.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.653 HG11 HG12 ' A' ' 25' ' ' VAL . 11.8 m -54.13 114.1 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.547 177.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.96 -14.23 24.02 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.595 -0.558 . . . . 0.0 112.852 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -83.15 177.31 8.63 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.192 0.996 . . . . 0.0 111.177 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 m -135.78 167.31 21.41 Favored 'General case' 0 C--N 1.342 0.239 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -171.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -145.28 160.84 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 126.582 1.953 . . . . 0.0 107.139 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -133.99 154.99 50.75 Favored 'General case' 0 C--O 1.23 0.031 0 CA-C-N 118.944 0.793 . . . . 0.0 111.798 -176.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.1 mt -141.24 142.03 29.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.158 -178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.97 -135.51 43.08 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -135.57 15.07 3.42 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.249 0.62 . . . . 0.0 109.74 176.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -143.17 8.45 1.63 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.972 0.509 . . . . 0.0 111.545 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -132.22 147.84 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 118.713 0.688 . . . . 0.0 110.673 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.2 m -139.43 155.51 47.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -134.93 149.07 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -143.26 155.4 44.49 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -119.15 88.57 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 178.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.0 mt -64.64 -23.5 67.28 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -167.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.52 -177.45 43.67 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 118.787 0.722 . . . . 0.0 112.279 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.653 HG12 HG11 ' A' ' 8' ' ' VAL . 13.8 p -137.43 145.64 29.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 C-N-CA 123.28 0.632 . . . . 0.0 109.672 -174.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -149.88 67.21 0.99 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.943 0.897 . . . . 0.0 108.832 -176.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.63 -136.22 22.94 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -65.72 -17.19 64.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.7 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -88.68 150.17 23.13 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 118.728 0.694 . . . . 0.0 109.458 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.8 t -143.23 129.34 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -89.86 131.09 35.97 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mt -129.83 155.15 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -170.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' HA3' ' HE1' ' C' ' 1' ' ' MET . . . -126.87 150.8 18.02 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 -178.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.5 mt -140.03 143.08 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -144.18 105.85 4.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.852 0.358 . . . . 0.0 110.396 -175.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.02 159.58 33.48 Favored Pre-proline 0 N--CA 1.455 -0.215 0 C-N-CA 123.611 0.764 . . . . 0.0 109.2 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.01 153.29 78.7 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.953 2.435 . . . . 0.0 110.686 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -64.13 -0.8 1.29 Allowed 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.25 -0.281 . . . . 0.0 110.78 173.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.62 -9.95 40.88 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.366 1.066 . . . . 0.0 110.311 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -137.8 169.05 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 124.342 1.057 . . . . 0.0 108.301 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.49 157.22 29.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.96 -0.463 . . . . 0.0 111.369 -175.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.8 m -146.95 135.76 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -152.59 163.82 38.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -59.44 141.9 53.61 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 169.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -59.78 -23.56 63.37 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.245 0.475 . . . . 0.0 111.943 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.11 -21.49 43.2 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.657 0.383 . . . . 0.0 110.757 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.77 -32.76 5.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 124.047 0.939 . . . . 0.0 109.739 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.475 ' CZ ' ' HG3' ' A' ' 52' ' ' GLN . 81.7 t80 -59.37 -36.18 75.3 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.29 0.636 . . . . 0.0 111.477 -176.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -69.62 -15.53 63.21 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -85.21 -9.02 58.28 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.0 mt -110.83 -43.24 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 122.76 0.424 . . . . 0.0 110.736 -174.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 72.2 mm-40 -69.49 1.38 4.06 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.47 -17.71 64.95 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.916 0.486 . . . . 0.0 111.739 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.95 16.63 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 CA-C-O 118.717 -1.046 . . . . 0.0 114.093 177.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -154.56 -176.58 5.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.174 1.487 . . . . 0.0 112.528 -172.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.6 p -144.43 5.84 1.25 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.937 0.895 . . . . 0.0 110.867 174.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.56 125.68 3.85 Favored Pre-proline 0 N--CA 1.452 -0.352 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.07 171.5 0.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 124.373 3.382 . . . . 0.0 113.656 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.53 0.195 0 C-N-CA 123.639 0.776 . . . . 0.0 112.336 -178.511 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 100.01 -2.69 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 99.355 -3.345 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 99.138 -3.562 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C1'-N19 111.442 3.242 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 C4'-C3'-C2' 98.995 -3.705 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C4'-C3'-C2' 99.822 -2.878 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.162 2.962 . 0.598 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 O4'-C1'-N19 110.763 2.563 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C5'-C4'-C3' 109.557 -3.962 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 C4'-C3'-C2' 100.205 -2.495 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 O4'-C1'-N19 110.578 2.378 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-C3' 111.261 -2.826 . 0.127 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . 0.432 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.622 1 C5'-C4'-C3' 105.097 -6.935 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . 0.415 " H5'" HD13 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.01 1 P-O3'-C3' 126.129 5.358 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-C2' 99.59 -3.11 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 C4'-C3'-C2' 98.732 -3.968 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.366 -3.334 . 0.552 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.529 -3.171 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.445 0 C4'-C3'-C2' 99.429 -3.271 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.419 -3.281 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 C4'-C3'-C2' 99.947 -2.753 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.412 ' HE1' ' HA3' ' A' ' 33' ' ' GLY . 1.5 mmm . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 119.858 -0.115 . . . . 0.0 110.75 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -130.93 112.51 13.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.4 ' N ' HD12 ' C' ' 3' ' ' ILE . 4.4 mp -106.81 148.51 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.249 1.019 . . . . 0.0 108.967 -171.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -149.63 179.16 8.21 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.407 0.683 . . . . 0.0 110.828 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -133.13 124.88 28.33 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 167.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.6 OUTLIER -124.74 164.64 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.248 1.019 . . . . 0.0 108.501 171.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -110.92 157.32 20.01 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.751 0.31 . . . . 0.0 110.698 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.59 HG11 HG12 ' C' ' 25' ' ' VAL . 17.0 m -53.2 114.56 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.026 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.88 -16.23 16.07 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 123.983 0.802 . . . . 0.0 111.943 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -84.63 179.14 7.44 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.791 0.795 . . . . 0.0 111.2 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -141.26 170.08 16.4 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.346 0.593 . . . . 0.0 112.277 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mm -144.65 164.67 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 126.843 2.057 . . . . 0.0 107.009 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -139.43 154.71 47.83 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.542 0.61 . . . . 0.0 111.889 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -139.82 144.38 28.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 124.192 0.997 . . . . 0.0 108.962 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.35 -135.46 44.56 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -136.75 17.22 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.221 0.609 . . . . 0.0 110.034 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -142.44 8.59 1.79 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.295 0.638 . . . . 0.0 111.493 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.13 147.13 33.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.198 0 CA-C-N 118.723 0.692 . . . . 0.0 110.412 -178.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -138.58 153.17 48.66 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.92 0.888 . . . . 0.0 108.61 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -134.6 149.23 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.8 m -143.21 151.89 41.13 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -110.37 87.82 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.432 HD22 ' C2 ' ' B' ' 67' ' ' ' C' . 21.5 mt -66.36 -26.39 67.25 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -168.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.18 -173.57 44.77 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.706 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.59 HG12 HG11 ' C' ' 8' ' ' VAL . 6.6 p -140.73 144.58 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.352 0.661 . . . . 0.0 109.382 -175.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -151.09 75.37 1.19 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.88 -142.02 34.04 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -67.06 -7.14 20.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 118.636 -0.697 . . . . 0.0 110.956 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -101.15 150.12 23.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 119.087 0.858 . . . . 0.0 109.328 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -136.54 140.39 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -104.11 132.1 50.71 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -130.04 151.94 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -169.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.79 150.24 17.08 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -177.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -138.74 144.2 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -144.74 106.03 4.22 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.53 158.9 35.45 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.749 0.82 . . . . 0.0 109.802 -177.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.83 154.07 75.49 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.833 2.355 . . . . 0.0 110.392 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -70.62 -0.7 9.21 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.12 -0.363 . . . . 0.0 110.592 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.77 -7.07 36.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.798 0.839 . . . . 0.0 110.618 172.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -136.7 169.24 20.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.923 0.889 . . . . 0.0 108.819 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.25 156.59 29.66 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -173.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 m -148.02 134.11 12.22 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -159.67 166.01 31.47 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.59 0.709 . . . . 0.0 111.727 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -58.89 148.04 31.68 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 168.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -56.64 -31.66 64.57 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 122.229 -0.294 . . . . 0.0 111.719 -174.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.29 -35.91 47.3 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.952 -0.467 . . . . 0.0 111.261 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mp -72.88 -34.52 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -55.71 -26.47 45.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.749 0.819 . . . . 0.0 111.628 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -74.84 -15.59 60.72 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.636 0.374 . . . . 0.0 111.563 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -86.18 -4.34 59.15 Favored 'General case' 0 C--O 1.227 -0.09 0 O-C-N 121.266 -0.896 . . . . 0.0 110.263 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.443 ' N ' HD12 ' C' ' 51' ' ' ILE . 4.5 mp -118.05 -12.69 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.366 0.666 . . . . 0.0 109.784 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -122.21 -12.63 8.25 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -132.09 -2.26 3.61 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -176.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.81 -12.07 0.06 OUTLIER Glycine 0 CA--C 1.527 0.831 0 CA-C-N 118.236 0.471 . . . . 0.0 112.022 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 51.0 -173.18 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.871 1.668 . . . . 0.0 112.752 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 47.5 p -79.19 7.89 6.84 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.23 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.65 62.83 7.28 Favored Pre-proline 0 CA--C 1.533 0.316 0 C-N-CA 122.907 0.483 . . . . 0.0 111.202 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -47.26 -36.41 22.39 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 124.203 3.268 . . . . 0.0 114.465 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 CA--C 1.533 0.32 0 C-N-CA 122.308 0.243 . . . . 0.0 111.562 -175.393 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.972 -2.728 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 56' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.438 -3.262 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 57' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.356 -3.344 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O4'-C1'-N19 111.733 3.533 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C4'-C3'-C2' 99.484 -3.216 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.997 0 C4'-C3'-C2' 99.299 -3.401 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.569 -3.131 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.872 0 C4'-C3'-C2' 99.877 -2.823 . 0.579 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 63' ' ' ' A' . . . . . 0.509 " H2'" ' C8 ' ' D' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-N19 110.626 2.426 . 0.403 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 64' ' ' ' G' . . . . . 0.509 ' C8 ' " H2'" ' D' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 C4'-C3'-C2' 98.686 -4.014 . 0.01 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.541 0 N19-C1'-C2' 109.12 -2.675 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 66' ' ' ' A' . . . . . 0.597 " H2'" H5'' ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C3'-C2'-C1' 104.488 3.32 . 0.52 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 67' ' ' ' C' . . . . . 0.597 H5'' " H2'" ' D' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.325 2 O5'-C5'-C4' 118.311 5.794 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' D' D ' 68' ' ' ' G' . . . . . 0.585 " C5'" " H4'" ' D' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.957 1 P-O3'-C3' 125.374 4.728 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.228 -3.472 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 98.837 -3.863 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C4'-C3'-C2' 99.34 -3.36 . 0.563 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.942 -2.758 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 73' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C4'-C3'-C2' 99.562 -3.138 . 0.871 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C4'-C3'-C2' 99.367 -3.333 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 75' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 C4'-C3'-C2' 99.869 -2.831 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_