data_2jvm_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 2jvm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.515 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 48.9 t . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -86.97 123.94 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.931 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.2 m -119.58 153.73 22.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.285 0.564 . . . . 0.0 111.578 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -102.57 -3.82 26.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.289 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.8 m -119.39 130.99 55.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.428 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -66.84 -29.28 69.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.731 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -97.13 113.87 25.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -113.24 150.86 15.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.994 0.426 . . . . 0.0 110.525 -176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.7 104.68 14.44 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.606 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 13.0 t -92.62 155.79 17.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.859 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -171.45 84.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -173.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.674 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.423 173.725 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.661 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 34.8 p80 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.62 171.13 11.23 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.504 2.136 . . . . 0.0 112.302 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 39.2 ttm180 -63.09 121.51 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.619 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -129.02 154.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -106.75 119.58 39.71 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.181 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.0 mt -110.71 159.24 17.79 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.226 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.6 t -124.08 120.99 33.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.843 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.712 HG12 HG13 ' A' ' 54' ' ' VAL . 59.4 mt -80.91 121.69 81.15 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.397 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.484 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 31.6 Cg_exo -60.84 124.46 15.0 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.669 2.246 . . . . 0.0 111.246 176.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -72.15 -28.16 63.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 -170.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.9 pm0 -92.85 5.73 50.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.234 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.484 ' HB ' ' HB2' ' A' ' 48' ' ' PRO . 17.0 m -115.36 -39.11 3.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.38 -37.21 3.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.354 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.515 ' HB3' HG13 ' A' ' 64' ' ' ILE . 37.5 p90 -148.0 166.31 28.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.754 0.311 . . . . 0.0 110.927 -178.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.712 HG13 HG12 ' A' ' 47' ' ' ILE . 10.4 p -143.33 143.91 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.109 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -99.31 149.34 23.23 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 52.9 t -74.58 137.87 42.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.62 -13.56 81.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.342 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -104.91 -61.05 1.52 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.103 0.478 . . . . 0.0 110.818 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.661 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 74.9 m -97.35 155.27 16.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.012 -176.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.34 8.05 12.36 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -80.32 129.88 34.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.053 0.454 . . . . 0.0 110.25 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -103.6 143.66 32.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.926 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.515 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 94.0 m-85 -117.63 135.88 53.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.284 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.631 HD11 ' HD2' ' A' ' 68' ' ' PHE . 15.1 tt -137.37 144.36 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.648 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -73.09 144.3 47.06 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -53.77 -33.46 55.94 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -176.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.3 t -67.78 -33.44 74.82 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 -177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.631 ' HD2' HD11 ' A' ' 64' ' ' ILE . 7.6 t80 -88.22 -14.96 37.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.224 0.535 . . . . 0.0 110.031 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.261 -177.347 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.849 0.356 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.4 t -95.26 121.56 45.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 174.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.05 147.55 26.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.281 0.562 . . . . 0.0 111.863 -174.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.8 m -103.04 -17.61 15.35 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.029 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.1 p -93.58 154.45 17.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.51 -176.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -79.65 -55.39 5.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.586 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -94.87 121.66 36.69 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -116.62 152.15 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.07 106.32 18.54 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.723 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 41.6 t -89.85 141.88 28.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -135.8 26.56 3.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.618 0.723 . . . . 0.0 110.551 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 C-N-CA 120.766 -0.73 . . . . 0.0 113.449 174.228 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.529 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 33.8 p80 . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 63.4 Cg_endo -73.01 177.24 8.01 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.407 2.071 . . . . 0.0 112.614 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 41.0 ttm180 -61.15 115.24 3.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.593 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.636 HG23 ' H ' ' A' ' 44' ' ' TRP . 9.9 p -122.6 169.81 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.049 176.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.636 ' H ' HG23 ' A' ' 43' ' ' VAL . 99.0 m95 -107.62 110.63 22.56 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.095 -176.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -105.15 165.73 10.89 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 t -147.85 129.51 15.08 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.558 HD12 HG12 ' A' ' 54' ' ' VAL . 46.2 mm -69.1 114.46 23.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.537 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.525 ' HD3' ' HB ' ' A' ' 54' ' ' VAL . 35.7 Cg_exo -60.82 125.99 18.58 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.728 2.285 . . . . 0.0 111.531 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -75.76 -5.81 47.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.258 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -107.19 5.39 27.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.574 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.44 ' HB ' ' HB2' ' A' ' 48' ' ' PRO . 11.5 m -135.46 -53.25 0.77 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -174.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.95 -19.4 35.4 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.144 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -149.76 163.13 38.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.558 HG12 HD12 ' A' ' 47' ' ' ILE . 11.3 p -155.21 148.62 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.203 0.525 . . . . 0.0 111.361 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -120.17 154.48 34.73 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.31 156.99 18.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.046 0.451 . . . . 0.0 111.104 -174.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.72 -19.54 47.67 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.574 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -84.98 -22.1 29.26 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.415 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.422 ' HG ' ' CD2' ' A' ' 40' ' ' HIS . 13.4 p -154.52 145.4 22.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.602 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.21 34.22 0.2 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.677 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' H ' ' C ' ' A' ' 59' ' ' CYS . 34.3 ttt180 -86.68 137.8 32.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -110.3 132.05 54.51 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.483 -176.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -114.25 120.25 39.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.899 0.38 . . . . 0.0 110.276 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.2 mm -113.12 132.05 63.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.717 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -69.68 143.33 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -52.53 -30.93 33.05 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -71.02 -18.45 62.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.699 0.285 . . . . 0.0 111.167 -176.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -103.33 -12.9 16.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.347 0.594 . . . . 0.0 110.508 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.208 -176.175 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 120.962 0.41 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 58.3 t -90.37 123.43 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.089 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.32 151.28 13.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.388 0.613 . . . . 0.0 111.355 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -102.37 0.12 33.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.466 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -114.81 157.93 22.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.946 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -90.29 -27.56 19.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.95 0.405 . . . . 0.0 110.282 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -98.17 140.3 32.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.074 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 45' ' ' LEU . 4.9 m -131.5 119.2 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-O 121.511 0.672 . . . . 0.0 110.651 174.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.01 93.62 9.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.029 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' HG ' ' CE1' ' A' ' 40' ' ' HIS . 49.2 t -85.7 127.79 34.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.547 0.689 . . . . 0.0 110.587 -172.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -114.44 6.88 16.11 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.629 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.793 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.213 -179.097 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.564 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 6.9 p80 . . . . . 0 CA--C 1.529 0.166 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.564 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 7.5 Cg_endo -50.18 140.58 32.9 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.378 2.052 . . . . 0.0 111.379 173.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 33.1 ttm180 -66.26 120.77 13.84 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.479 -174.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.9 t -119.52 156.2 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.781 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -109.39 107.6 17.84 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.236 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.525 ' HB2' HG23 ' A' ' 29' ' ' VAL . 68.9 mt -105.99 160.76 15.04 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.7 t -136.95 130.07 31.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.902 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.7 mt -73.73 129.35 85.37 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.236 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -51.67 121.44 8.59 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.835 2.356 . . . . 0.0 111.925 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -77.16 70.59 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.418 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.47 ' HG3' HG23 ' A' ' 51' ' ' THR . 9.5 pt-20 -173.27 -33.76 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.496 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.47 HG23 ' HG3' ' A' ' 50' ' ' GLU . 25.9 p -107.77 -75.51 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.498 -176.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.633 ' HA3' ' HB2' ' A' ' 68' ' ' PHE . . . 129.74 8.58 3.42 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.573 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -136.24 153.44 51.21 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -133.59 -45.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.02 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.539 ' HG2' ' HG3' ' A' ' 62' ' ' ARG . 48.4 mt-10 65.68 -167.17 0.22 Allowed 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.291 0.37 . . . . 0.0 110.032 -174.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.1 t -142.12 138.71 31.84 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.159 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.51 41.25 2.27 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 174.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -155.49 -48.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.8 t -106.58 162.15 13.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.267 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.19 12.64 28.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.896 0.379 . . . . 0.0 111.485 -176.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 61' ' ' ARG . 10.4 mtp180 -89.92 128.44 36.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.498 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.539 ' HG3' ' HG2' ' A' ' 55' ' ' GLU . 44.1 ttm180 -91.74 147.17 23.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.966 176.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -128.27 135.26 49.41 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.514 0.197 . . . . 0.0 110.489 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 79.7 mt -128.33 135.27 63.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.437 -177.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -79.48 148.8 31.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -54.48 -31.07 55.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.8 t -74.19 -31.07 62.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.548 0.213 . . . . 0.0 110.813 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.633 ' HB2' ' HA3' ' A' ' 52' ' ' GLY . 74.5 t80 -79.55 -20.47 46.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.522 0.677 . . . . 0.0 109.474 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.739 179.082 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.419 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 61.6 t . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.958 0.409 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 45.7 t -82.39 116.21 26.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.457 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -109.98 153.07 11.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.886 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.4 t -112.64 7.0 18.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.832 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.3 m -128.79 132.69 47.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.243 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.45 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 87.3 m95 -79.9 -21.49 43.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.26 0.552 . . . . 0.0 111.188 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -102.03 103.98 14.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.966 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.8 m -109.47 151.47 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.82 0.343 . . . . 0.0 111.288 -175.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.71 112.19 18.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.663 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.586 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 39.1 t -100.75 149.02 24.24 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -141.79 26.12 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.694 0.759 . . . . 0.0 110.05 -176.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.567 0 CA-C-N 115.454 -0.793 . . . . 0.0 112.726 177.789 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.0 p80 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.45 160.48 39.23 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.823 2.348 . . . . 0.0 112.082 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.586 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 8.4 tmm_? -52.76 132.56 36.62 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.058 0.456 . . . . 0.0 111.67 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.562 HG22 ' HE2' ' A' ' 58' ' ' TYR . 14.7 p -136.5 160.77 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.868 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.465 ' N ' HG21 ' A' ' 43' ' ' VAL . 97.4 m95 -112.22 129.95 56.09 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.758 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -123.56 163.22 21.41 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.1 t -129.45 109.87 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.661 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.48 HG12 HG12 ' A' ' 54' ' ' VAL . 58.8 mt -71.67 125.79 91.65 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.687 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 16.6 Cg_exo -67.61 126.15 14.35 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.593 2.196 . . . . 0.0 111.747 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.45 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 22.8 m-70 -68.23 -26.46 65.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.801 -176.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -75.83 -14.34 60.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.887 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.3 p -113.85 -37.57 4.48 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.327 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.528 ' HA3' ' CD1' ' A' ' 68' ' ' PHE . . . 83.88 -26.73 4.66 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.182 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -119.41 156.71 29.64 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.48 HG12 HG12 ' A' ' 47' ' ' ILE . 14.8 p -142.68 140.02 28.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.93 0.395 . . . . 0.0 111.056 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -94.52 132.91 38.69 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 52.0 t -68.49 135.43 51.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.989 0.423 . . . . 0.0 110.363 -178.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.4 -27.0 74.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.86 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.562 ' HE2' HG22 ' A' ' 43' ' ' VAL . 75.2 m-85 -87.2 -55.38 3.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.217 0.532 . . . . 0.0 111.18 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.552 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 12.3 p -119.19 154.81 32.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.022 -171.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -77.03 40.86 0.27 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.056 0.931 . . . . 0.0 110.605 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.451 ' H ' ' C ' ' A' ' 59' ' ' CYS . 16.8 ttt180 -100.11 142.57 31.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.756 174.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -122.84 139.36 54.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.096 0.474 . . . . 0.0 110.909 -175.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.419 ' CD2' ' HB ' ' A' ' 22' ' ' VAL . 91.6 m-85 -120.07 142.17 49.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.635 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 18.3 tt -133.8 138.0 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.273 -178.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -72.29 147.77 46.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.406 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -49.7 -37.36 28.68 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.621 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.1 t -63.74 -42.09 97.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.528 ' CD1' ' HA3' ' A' ' 52' ' ' GLY . 43.7 m-85 -84.15 -9.12 58.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.929 0.395 . . . . 0.0 110.977 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.879 175.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.498 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 46.1 t . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.939 0.399 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.458 HG22 ' HB ' ' A' ' 64' ' ' ILE . 72.0 t -99.91 125.13 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.05 172.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.8 163.27 22.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.345 0.593 . . . . 0.0 111.971 -172.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 t -99.84 -0.57 39.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 174.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 m -98.45 133.93 42.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.062 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -78.17 -36.04 48.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.755 0.312 . . . . 0.0 111.406 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -87.01 115.24 24.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.181 0.515 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.6 135.37 59.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.05 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.55 106.03 18.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.3 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.4 t -86.67 148.65 25.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.934 -178.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -163.88 72.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.621 0.725 . . . . 0.0 109.527 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.451 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.087 178.644 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 31.7 p80 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 13.5 Cg_endo -57.88 159.24 18.31 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.655 2.237 . . . . 0.0 111.931 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 5.1 tmm_? -65.43 128.91 37.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.317 0.579 . . . . 0.0 111.079 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -126.82 156.76 38.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.727 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -104.65 112.1 25.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.129 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.7 mt -108.17 153.77 22.69 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.037 0.446 . . . . 0.0 110.884 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 t -120.62 106.98 12.27 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.12 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.545 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 70.7 mt -54.04 123.17 39.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.982 -178.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.416 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 99.8 Cg_exo -44.58 118.65 1.89 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.327 2.685 . . . . 0.0 112.34 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -81.12 -6.97 59.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.029 -167.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.85 -25.49 13.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.983 0.421 . . . . 0.0 110.928 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.416 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 4.0 p -99.38 -52.53 3.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.589 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.92 7.73 26.85 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.31 -0.947 . . . . 0.0 113.028 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -149.44 145.35 26.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.545 ' HB ' ' HA ' ' A' ' 47' ' ' ILE . 7.2 p -113.24 130.15 67.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.447 0.641 . . . . 0.0 111.835 -177.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -104.55 109.66 21.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.256 -0.883 . . . . 0.0 108.729 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.79 136.68 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.005 0.431 . . . . 0.0 111.338 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.71 35.02 3.98 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.903 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -150.34 -61.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 23.3 t -102.63 177.69 4.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.813 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.93 57.64 0.64 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.809 0.814 . . . . 0.0 109.859 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -112.58 124.83 53.41 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.326 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -102.73 116.6 32.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.163 0.506 . . . . 0.0 111.073 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.498 ' HB2' HG12 ' A' ' 54' ' ' VAL . 38.7 m-85 -103.01 131.18 50.18 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.458 ' HB ' HG22 ' A' ' 23' ' ' VAL . 59.3 mt -113.83 139.44 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.837 0.351 . . . . 0.0 110.682 -174.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -85.65 144.43 27.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -54.98 -28.76 54.27 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 t -72.33 -30.69 64.98 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.069 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -79.92 -27.26 39.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.052 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.183 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.257 -175.76 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 121.239 0.542 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.9 t -84.15 124.21 39.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.067 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.418 HG23 ' CD1' ' A' ' 47' ' ' ILE . 27.2 m -119.9 150.59 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.0 t -105.67 -6.83 18.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.668 0.747 . . . . 0.0 109.434 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -116.65 135.41 53.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.623 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -75.6 -37.59 59.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.985 0.421 . . . . 0.0 110.581 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -97.25 106.3 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' ' 45' ' ' LEU . 11.6 m -112.8 130.44 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.404 -175.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.76 107.98 19.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.799 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.4 t -97.98 138.41 35.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.911 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -124.27 14.8 9.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.839 0.828 . . . . 0.0 109.981 -176.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.716 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.584 177.368 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.8 p80 . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.96 149.29 80.19 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.179 1.919 . . . . 0.0 111.901 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -52.51 128.89 27.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.506 -176.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.47 HG21 ' N ' ' A' ' 44' ' ' TRP . 10.1 p -134.19 163.93 35.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-O 121.336 0.588 . . . . 0.0 111.06 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.47 ' N ' HG21 ' A' ' 43' ' ' VAL . 92.5 m95 -118.13 115.97 25.89 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.736 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HB2' HG23 ' A' ' 29' ' ' VAL . 68.5 mt -107.73 160.7 15.52 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 t -135.84 112.78 10.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.494 HG12 HG11 ' A' ' 54' ' ' VAL . 62.7 mt -72.7 128.84 87.73 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.992 -176.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.633 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 75.0 Cg_exo -50.28 123.97 12.11 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.982 2.455 . . . . 0.0 111.53 175.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -80.07 -13.99 58.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.16 -168.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.74 -5.72 22.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.779 0.323 . . . . 0.0 110.848 -178.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.633 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 67.1 p -100.31 -55.68 2.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.847 0.356 . . . . 0.0 110.238 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.56 5.56 53.89 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.092 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -153.47 156.29 37.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.703 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.494 HG11 HG12 ' A' ' 47' ' ' ILE . 10.1 p -149.39 146.74 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.364 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -107.05 132.75 52.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 44.1 t -84.77 99.83 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.67 -17.6 75.04 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.205 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -89.89 -26.32 20.52 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.713 0.292 . . . . 0.0 111.478 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -106.87 -85.24 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.2 t70 171.48 -40.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.881 0.738 . . . . 0.0 110.079 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -54.14 138.58 37.73 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.438 -174.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 49.2 ttm-85 -105.58 129.22 53.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.996 173.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -109.69 140.13 43.91 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -176.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.0 tt -131.41 144.91 36.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -72.15 146.92 47.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.7 0.286 . . . . 0.0 110.759 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -48.17 -46.01 34.23 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.014 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.7 t -70.37 -36.18 73.98 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.702 0.286 . . . . 0.0 111.222 -173.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -78.64 -17.95 55.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.911 0.386 . . . . 0.0 111.174 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.017 -176.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 t . . . . . 0 C--O 1.236 0.352 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.81 127.48 43.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.905 0.383 . . . . 0.0 110.554 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.449 ' HB ' HG23 ' A' ' 26' ' ' THR . 29.0 m -134.5 152.47 33.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -113.27 18.5 17.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.449 HG23 ' HB ' ' A' ' 24' ' ' VAL . 5.2 t -117.55 155.12 30.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.044 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -96.25 -9.19 30.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.342 . . . . 0.0 111.6 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -126.0 121.91 34.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.799 0.333 . . . . 0.0 110.173 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.8 m -119.24 133.25 66.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.197 0.522 . . . . 0.0 111.52 -176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.55 110.8 21.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.503 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -89.86 141.2 28.87 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 -177.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -127.55 19.73 6.74 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.854 -169.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.339 179.545 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.672 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 33.7 p80 . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.397 0.141 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.3 156.67 44.54 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.506 2.137 . . . . 0.0 110.954 172.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.98 121.94 15.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.807 0.337 . . . . 0.0 111.607 -172.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -123.22 157.44 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -110.01 120.28 41.96 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.798 0.332 . . . . 0.0 110.386 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -109.34 162.79 13.99 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.413 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.2 m -126.08 131.87 52.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.722 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 55.0 mt -90.94 129.29 44.64 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.282 -174.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.546 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 38.5 Cg_exo -57.6 129.44 33.76 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.929 2.419 . . . . 0.0 111.645 174.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -78.95 -21.5 47.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.634 -170.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.79 -24.29 22.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.026 -176.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.546 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 18.4 p -97.54 -45.0 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.62 17.94 46.88 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.741 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' HB3' HG13 ' A' ' 64' ' ' ILE . 27.7 p90 -154.42 151.81 29.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.486 HG12 ' HB2' ' A' ' 63' ' ' TYR . 14.1 p -125.52 141.68 44.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.875 0.369 . . . . 0.0 110.772 -176.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -97.05 147.37 24.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.924 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.0 t -116.2 119.82 36.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.738 0.304 . . . . 0.0 110.522 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.84 -3.1 71.12 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.576 175.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.4 -47.86 10.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.459 -0.37 . . . . 0.0 110.676 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.672 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 69.7 m -143.81 179.42 7.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.951 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -78.12 11.6 2.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -173.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -78.52 154.51 30.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.017 0.437 . . . . 0.0 111.156 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -149.03 127.85 12.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.486 ' HB2' HG12 ' A' ' 54' ' ' VAL . 52.2 m-85 -107.62 138.11 44.43 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -174.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.405 HG13 ' HB3' ' A' ' 53' ' ' PHE . 15.9 tt -134.18 148.37 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.87 0.367 . . . . 0.0 111.06 -177.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -72.9 146.44 46.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.949 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 67' ' ' SER . 4.1 pt-20 -45.43 -43.82 11.66 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.777 0.831 . . . . 0.0 113.183 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 23.1 t -69.73 -28.69 66.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.981 0.42 . . . . 0.0 111.603 -172.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -89.19 -14.61 35.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.983 0.42 . . . . 0.0 110.509 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.15 -178.111 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.908 0.385 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 57.2 t -102.84 124.93 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.721 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 m -118.29 147.95 21.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.237 0.542 . . . . 0.0 112.022 -174.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.0 m -100.86 -21.83 15.0 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.082 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -89.8 157.41 17.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.038 -175.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -86.56 -12.82 47.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 0.0 110.94 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -121.04 143.03 49.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.599 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.43 HG12 ' CE2' ' A' ' 63' ' ' TYR . 3.0 t -133.89 159.22 42.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.13 114.03 20.32 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 42.0 t -98.71 130.04 45.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.472 ' OD1' ' HB2' ' A' ' 42' ' ' ARG . 7.9 t70 -117.21 20.27 13.78 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.528 0.68 . . . . 0.0 110.24 -174.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.405 ' HA2' ' CD2' ' A' ' 40' ' ' HIS . . . . . . . . 0 N--CA 1.446 -0.674 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.562 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.539 ' CD2' ' HG ' ' A' ' 59' ' ' CYS . 34.8 p80 . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.05 153.25 65.58 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.036 2.49 . . . . 0.0 111.723 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.483 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 26.9 ttm180 -63.43 122.37 16.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.134 0.492 . . . . 0.0 111.597 -175.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 44' ' ' TRP . 13.1 p -116.53 163.08 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.41 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.409 ' N ' HG21 ' A' ' 43' ' ' VAL . 94.1 m95 -106.81 111.15 23.54 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.93 -177.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -106.88 171.34 7.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.168 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.6 t -143.41 148.44 36.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.394 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.6 mm -87.5 116.14 65.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.403 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.21 126.73 18.46 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.503 2.136 . . . . 0.0 111.511 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -76.93 -16.78 59.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.499 0.666 . . . . 0.0 109.934 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -80.21 -13.53 59.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.397 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 p -125.81 -53.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.648 0.261 . . . . 0.0 111.512 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.73 9.19 35.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.609 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -158.02 156.78 31.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.473 HG11 ' HB2' ' A' ' 63' ' ' TYR . 7.9 p -138.92 146.72 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.016 0.436 . . . . 0.0 110.997 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -118.3 126.06 51.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 36.3 t -64.31 121.66 14.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.922 0.391 . . . . 0.0 111.711 -174.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.84 -5.54 68.33 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.887 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -80.99 -41.72 22.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.539 ' HG ' ' CD2' ' A' ' 40' ' ' HIS . 6.0 p -133.42 -97.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.495 171.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 179.39 91.92 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.455 0.645 . . . . 0.0 110.388 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 61' ' ' ARG . 38.2 ttm180 -137.2 152.79 50.28 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 169.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttm105 -115.72 117.76 31.16 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.53 -172.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.473 ' HB2' HG11 ' A' ' 54' ' ' VAL . 87.1 m-85 -107.31 125.55 51.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.484 -178.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 34.3 mm -116.03 139.99 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.696 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -78.75 142.72 36.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.915 0.388 . . . . 0.0 110.482 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.92 -31.93 60.71 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 t -66.63 -18.25 65.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.744 0.307 . . . . 0.0 111.183 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.89 -13.8 22.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.09 0.471 . . . . 0.0 110.775 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.248 -178.726 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.9 t . . . . . 0 CA--C 1.52 -0.176 0 N-CA-C 110.612 -0.144 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 43.1 t -95.96 119.97 44.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 m -125.07 151.71 30.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 111.634 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 m -90.25 -13.71 34.85 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.123 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.9 p -101.31 143.63 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.234 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -78.68 -31.37 46.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.014 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -100.8 124.23 46.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.862 0.363 . . . . 0.0 110.595 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -123.6 148.05 27.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.603 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.41 109.74 20.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.848 177.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.439 ' HG ' ' CE1' ' A' ' 40' ' ' HIS . 48.0 t -92.81 149.93 20.95 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -161.03 75.05 0.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.656 175.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.439 ' CE1' ' HG ' ' A' ' 31' ' ' CYS . 33.0 p80 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.62 168.59 19.52 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.795 2.33 . . . . 0.0 112.364 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -55.06 121.18 8.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.689 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 44' ' ' TRP . 11.0 p -120.48 153.45 23.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.431 0.634 . . . . 0.0 109.918 174.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.423 ' N ' HG22 ' A' ' 43' ' ' VAL . 98.0 m95 -111.48 115.2 28.82 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.623 -175.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.9 mt -112.04 159.34 18.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.406 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.1 t -135.73 115.05 12.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.466 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.601 HG12 HG11 ' A' ' 54' ' ' VAL . 66.2 mt -65.86 124.01 86.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.148 -177.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.51 127.63 21.34 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.813 2.342 . . . . 0.0 111.491 176.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -70.78 -24.6 62.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.366 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.44 -19.99 51.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.377 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.9 p -102.31 -48.47 4.18 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.915 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.45 2.37 60.28 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -176.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.471 ' HB2' HD11 ' A' ' 64' ' ' ILE . 50.1 p90 -155.34 156.1 34.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.601 HG11 HG12 ' A' ' 47' ' ' ILE . 12.5 p -137.57 140.22 41.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.007 0.432 . . . . 0.0 110.414 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.45 129.79 54.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.605 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 38.2 t -71.28 151.22 44.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -176.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.5 -19.79 31.41 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.893 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -80.05 -30.38 39.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.448 ' C ' ' H ' ' A' ' 61' ' ' ARG . 47.6 t -157.17 169.59 24.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.416 -0.586 . . . . 0.0 109.416 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.6 33.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.157 0.503 . . . . 0.0 111.653 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.448 ' H ' ' C ' ' A' ' 59' ' ' CYS . 10.3 mmt85 -73.04 123.46 23.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.476 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -115.14 113.03 23.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.766 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -100.6 120.84 40.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.023 0.44 . . . . 0.0 110.603 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.471 HD11 ' HB2' ' A' ' 53' ' ' PHE . 25.6 mm -109.23 125.62 66.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.453 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -76.4 136.56 39.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -59.98 -17.35 37.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -173.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.4 p -70.18 -38.33 75.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.258 0.551 . . . . 0.0 110.084 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -79.79 -20.94 45.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.77 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.132 -176.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.458 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 47.4 t . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.0 t -88.22 125.41 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.392 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.1 m -111.89 143.07 22.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.281 0.562 . . . . 0.0 111.314 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 m -96.97 17.46 16.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.257 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.4 m -147.2 142.01 26.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.416 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -64.07 -34.65 78.5 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.73 0.3 . . . . 0.0 111.196 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -102.14 134.55 45.21 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.34 153.98 33.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.601 -175.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 43' ' ' VAL . . . -109.65 100.53 9.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.46 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.9 t -88.83 151.75 22.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.676 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -159.06 72.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.41 0.624 . . . . 0.0 109.805 -174.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.551 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.436 175.772 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 27.0 p80 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.94 161.24 43.34 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.904 2.403 . . . . 0.0 112.485 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -51.0 120.22 4.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.086 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 44' ' ' TRP . 11.3 p -122.86 163.7 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.297 0.57 . . . . 0.0 110.244 176.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.461 ' N ' HG21 ' A' ' 43' ' ' VAL . 96.0 m95 -113.68 115.62 28.14 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.444 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.9 mt -112.68 164.09 13.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -140.13 128.15 22.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.321 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 68.4 mt -85.23 126.47 67.25 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.115 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.86 143.91 57.02 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.884 2.389 . . . . 0.0 112.182 176.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -70.36 -35.72 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.642 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -71.42 -22.24 61.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.637 -175.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.0 p -96.67 -57.53 2.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 111.133 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.55 -8.59 66.43 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.46 ' HB3' HG12 ' A' ' 64' ' ' ILE . 47.5 p90 -142.56 164.91 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.53 137.87 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.155 0.503 . . . . 0.0 111.337 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.85 120.39 34.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.057 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.3 t -67.35 102.71 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.849 0.356 . . . . 0.0 110.5 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.99 44.69 3.05 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -152.89 -49.26 0.1 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 36.6 t -94.93 -89.19 0.24 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.109 177.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 59' ' ' CYS . 38.7 t70 172.49 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -51.9 144.63 11.23 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.451 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -104.62 142.16 35.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.458 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 91.4 m-85 -125.18 144.16 50.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.736 0.303 . . . . 0.0 110.646 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.46 HG12 ' HB3' ' A' ' 53' ' ' PHE . 70.5 mt -129.56 136.89 58.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.351 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -71.02 145.69 49.81 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 110.248 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -52.4 -33.34 43.1 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -176.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.1 t -64.8 -36.31 83.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.152 0.501 . . . . 0.0 110.544 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -81.96 -14.83 55.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.177 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.578 -179.071 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 47.7 t -79.61 127.11 39.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.111 -174.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.4 m -117.11 148.22 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.739 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 t -101.06 -11.87 19.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.391 0.615 . . . . 0.0 109.63 178.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.21 153.32 23.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.914 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.485 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 94.5 m95 -91.53 -26.96 18.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.338 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -95.62 102.31 14.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 30' ' ' ALA . 4.8 t -108.13 163.07 5.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.956 -172.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.403 ' N ' HG12 ' A' ' 29' ' ' VAL . . . -112.01 129.27 56.25 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.27 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 21.9 t -96.48 147.25 24.04 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -160.54 71.52 0.44 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.518 0.675 . . . . 0.0 110.409 -172.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.476 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.936 174.758 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.415 ' CE1' ' HG ' ' A' ' 31' ' ' CYS . 35.0 p80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.67 154.25 50.21 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.565 2.177 . . . . 0.0 112.154 177.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 5.2 tmm_? -57.87 131.7 51.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.249 -176.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -130.24 160.91 40.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.03 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -97.63 133.84 41.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.858 0.361 . . . . 0.0 111.414 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -120.92 171.63 8.5 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.143 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.6 t -139.09 126.34 21.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.962 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.69 HG12 ' HB ' ' A' ' 54' ' ' VAL . 56.4 mt -84.74 125.1 71.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.738 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.81 132.72 36.03 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 122.883 2.388 . . . . 0.0 110.935 173.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.485 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 24.5 m-70 -81.42 -13.72 57.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -165.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.405 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -91.81 -27.87 17.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 110.757 -177.708 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.401 ' HB ' ' CE2' ' A' ' 53' ' ' PHE . 2.3 p -91.68 -44.45 9.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.467 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.11 3.06 63.85 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.168 176.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.401 ' CE2' ' HB ' ' A' ' 51' ' ' THR . 52.7 p90 -138.2 154.43 49.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.69 ' HB ' HG12 ' A' ' 47' ' ' ILE . 7.3 p -116.37 124.32 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.0 110.821 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -92.41 114.06 26.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.03 176.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.4 t -69.01 145.23 53.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.572 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.05 19.2 23.16 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 176.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -129.19 -22.37 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.716 -0.242 . . . . 0.0 111.123 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.6 t -162.1 175.17 12.02 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.426 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -87.17 45.04 1.23 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.928 0.87 . . . . 0.0 109.924 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.668 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 3.9 mmp_? -106.1 115.53 30.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.726 176.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -114.83 130.46 56.88 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.094 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -115.62 140.5 49.12 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 42.6 mm -116.36 127.73 73.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.036 -176.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -68.55 145.49 53.94 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -53.02 -32.65 47.81 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.9 t -70.99 -32.74 69.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 -178.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.433 ' HD2' HG22 ' A' ' 64' ' ' ILE . 55.5 t80 -88.93 -17.15 30.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.404 0.621 . . . . 0.0 109.771 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.635 -178.871 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.402 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 56.6 t . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.929 0.395 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.1 t -92.05 131.92 37.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.984 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.429 HG22 HD11 ' A' ' 47' ' ' ILE . 15.4 m -117.41 146.03 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.439 0.637 . . . . 0.0 111.458 -177.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.8 t -105.49 -0.58 25.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.914 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.7 p -108.85 131.37 55.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.538 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -66.02 -22.99 66.48 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-O 121.061 0.458 . . . . 0.0 110.532 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -108.01 124.41 50.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.499 HG22 HG13 ' A' ' 54' ' ' VAL . 13.7 m -111.02 127.07 68.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.04 0.448 . . . . 0.0 110.94 -175.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.431 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . . . -94.57 99.99 12.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.63 177.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.8 t -86.69 127.0 34.93 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.383 0.611 . . . . 0.0 109.973 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -120.82 5.01 10.5 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.163 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.716 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.485 -178.57 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 59' ' ' CYS . 23.7 p80 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 72.1 Cg_exo -50.64 134.06 39.53 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.222 1.948 . . . . 0.0 110.926 171.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.431 ' HD2' ' HB2' ' A' ' 30' ' ' ALA . 49.4 ttp180 -65.15 129.5 39.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.143 0.497 . . . . 0.0 111.493 -171.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.9 t -119.98 150.35 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.449 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -109.5 108.44 18.92 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.916 0.388 . . . . 0.0 110.708 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.445 ' HB2' HG23 ' A' ' 29' ' ' VAL . 71.8 mt -106.68 170.25 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.61 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.6 t -132.85 140.9 48.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.953 0.406 . . . . 0.0 110.245 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.429 HD11 HG22 ' A' ' 24' ' ' VAL . 64.3 mt -82.46 128.25 67.66 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.98 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.585 ' HB2' ' HG1' ' A' ' 51' ' ' THR . 25.6 Cg_exo -62.58 142.99 92.01 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.521 2.148 . . . . 0.0 110.664 174.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -90.37 -0.59 57.71 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 -164.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.407 ' OE1' ' HB2' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -108.19 -28.85 9.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.31 0.576 . . . . 0.0 110.337 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.585 ' HG1' ' HB2' ' A' ' 48' ' ' PRO . 6.7 p -86.37 -52.44 5.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.093 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.44 11.9 60.36 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.811 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -146.45 154.28 41.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.546 -0.384 . . . . 0.0 110.692 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.499 HG13 HG22 ' A' ' 29' ' ' VAL . 7.2 p -129.7 130.56 66.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.394 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -106.57 92.68 4.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.109 0.481 . . . . 0.0 110.276 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 15.2 m -67.07 106.8 2.07 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.426 178.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.72 -4.1 90.3 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.787 -0.721 . . . . 0.0 113.138 -175.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.33 -40.81 77.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.052 0.453 . . . . 0.0 110.636 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.566 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 11.6 t -124.21 -9.19 7.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.539 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 73.73 69.95 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.138 -174.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.466 ' HB2' ' HB2' ' A' ' 56' ' ' CYS . 40.3 mmt180 -125.59 120.13 29.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.581 -178.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -105.46 105.07 14.94 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.402 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 23.6 m-85 -101.19 134.1 44.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.41 -178.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.455 HG23 ' HD2' ' A' ' 68' ' ' PHE . 50.8 mm -101.33 126.41 55.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.563 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -71.47 146.63 48.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -52.51 -38.04 58.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.165 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.3 t -70.1 -31.76 69.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.873 0.368 . . . . 0.0 110.67 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.455 ' HD2' HG23 ' A' ' 64' ' ' ILE . 34.2 t80 -82.39 -17.8 44.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.009 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.608 178.173 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.45 -0.436 0 CA-C-O 120.861 0.362 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.49 125.08 42.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.921 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.9 m -123.71 156.11 30.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 121.282 0.563 . . . . 0.0 111.293 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 t -115.17 -3.92 12.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.182 176.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -94.84 134.0 37.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.446 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.509 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 99.0 m95 -78.69 -31.25 46.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 19.2 ptpt -99.17 106.65 18.85 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 170.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.64 151.92 4.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.102 0.477 . . . . 0.0 110.613 -173.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.38 103.25 9.95 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.252 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.529 ' HG ' ' CE1' ' A' ' 40' ' ' HIS . 36.3 t -83.9 124.84 31.41 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.18 -20.82 12.54 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.259 -169.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.54 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.815 -175.057 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.529 ' CE1' ' HG ' ' A' ' 31' ' ' CYS . 16.2 p80 . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 53.1 Cg_exo -53.53 143.55 55.45 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.248 1.966 . . . . 0.0 111.194 172.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -64.44 115.09 4.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.568 0.223 . . . . 0.0 110.723 -174.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.4 t -109.13 156.07 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -109.95 129.59 55.64 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.153 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -112.29 159.9 18.18 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.916 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.5 t -125.2 112.58 16.6 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.815 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 51.9 mt -84.53 124.13 73.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.438 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.566 ' HB2' ' HG1' ' A' ' 51' ' ' THR . 23.5 Cg_exo -64.81 136.06 47.46 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.76 2.307 . . . . 0.0 111.353 176.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.509 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 20.4 m-70 -74.37 -16.04 60.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.26 -171.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.48 6.43 42.38 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.687 -178.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.566 ' HG1' ' HB2' ' A' ' 48' ' ' PRO . 8.7 p -122.14 -65.16 1.14 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.631 0.253 . . . . 0.0 110.644 175.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.09 23.03 23.66 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.856 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -152.9 153.71 33.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.778 -0.248 . . . . 0.0 110.416 178.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.79 145.18 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.958 0.409 . . . . 0.0 110.479 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.62 138.46 40.93 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.74 122.94 18.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.074 0.464 . . . . 0.0 110.854 -176.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.73 43.01 3.1 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.753 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -162.81 -49.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.1 t -108.29 166.55 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.913 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -80.26 -2.25 44.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.13 0.49 . . . . 0.0 111.282 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -80.79 153.21 27.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.372 0.606 . . . . 0.0 111.929 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -126.4 150.35 48.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.938 -173.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -126.71 132.39 51.15 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.992 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.6 mm -125.21 130.04 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.859 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -69.58 145.53 52.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.38 -30.9 42.27 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.6 t -72.89 -23.09 60.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.709 0.29 . . . . 0.0 111.12 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -93.47 -12.38 29.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.097 0.475 . . . . 0.0 110.317 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.979 -176.383 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.447 -0.575 0 CA-C-O 120.81 0.338 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -85.34 124.93 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.03 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.2 m -123.9 157.74 30.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.896 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -108.87 -8.83 15.21 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.279 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 m -106.87 141.65 37.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.205 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -82.76 -47.02 12.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.999 0.428 . . . . 0.0 109.987 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -90.56 100.04 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.8 m -108.01 146.11 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.758 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.08 102.55 15.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.398 174.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.8 t -71.06 156.34 39.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.544 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -174.16 89.84 0.07 Allowed 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -166.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.566 0 CA-C-N 114.276 -1.329 . . . . 0.0 115.694 -177.926 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.8 p80 . . . . . 0 C--O 1.234 0.27 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.53 158.17 13.56 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.792 2.328 . . . . 0.0 112.209 175.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -72.27 124.72 25.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.292 0.568 . . . . 0.0 111.331 -174.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.8 t -123.73 160.85 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.343 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -106.45 125.28 50.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.712 0.291 . . . . 0.0 110.718 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.5 mt -115.28 167.64 10.67 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.5 m -143.36 113.2 7.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.927 0.394 . . . . 0.0 110.377 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.44 HG12 ' CG1' ' A' ' 54' ' ' VAL . 49.2 mt -77.9 126.83 83.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.627 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -62.3 134.88 50.9 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.686 2.257 . . . . 0.0 111.689 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -75.8 -18.02 59.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.109 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -84.99 -17.85 36.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.312 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 p -99.81 -55.47 2.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.762 0.315 . . . . 0.0 111.108 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.45 -5.26 60.48 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 121.121 -0.562 . . . . 0.0 111.949 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -149.47 162.73 39.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.44 ' CG1' HG12 ' A' ' 47' ' ' ILE . 12.0 p -148.59 143.58 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.836 0.35 . . . . 0.0 110.479 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.74 132.88 42.97 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 48.5 t -76.95 135.05 38.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.836 0.35 . . . . 0.0 110.352 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.44 38.69 3.0 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.776 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -154.81 -56.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.8 t -99.43 166.89 10.96 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -91.78 -7.09 50.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.204 0.526 . . . . 0.0 110.628 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.59 125.61 25.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.95 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -100.65 139.91 35.67 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -111.27 131.58 55.03 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.725 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.662 HD12 ' HD2' ' A' ' 68' ' ' PHE . 14.3 tt -134.26 139.94 47.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.941 177.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -75.89 140.72 42.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -58.53 -29.72 66.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -174.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.8 p -69.68 -25.4 63.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 110.818 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.662 ' HD2' HD12 ' A' ' 64' ' ' ILE . 38.1 t80 -75.29 -22.81 57.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.042 0.449 . . . . 0.0 110.468 -176.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 -178.885 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.583 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 45.0 t . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.745 0.307 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.6 t -89.69 127.73 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.361 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.428 HG23 HD13 ' A' ' 47' ' ' ILE . 25.3 m -110.18 145.32 16.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.636 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.8 t -106.95 -8.69 16.52 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.381 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.5 p -119.74 153.55 35.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.172 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -79.25 -10.38 59.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.239 0.543 . . . . 0.0 111.279 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -134.78 130.08 35.57 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.42 178.67 5.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.327 0.584 . . . . 0.0 111.672 -169.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.11 118.81 26.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.19 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 42.4 t -83.62 133.34 34.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -116.61 3.29 13.11 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.155 -170.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.452 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.399 178.504 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.0 p80 . . . . . 0 C--O 1.235 0.291 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.67 151.62 84.23 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.473 2.115 . . . . 0.0 111.23 172.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 21.9 ttm180 -59.56 125.01 21.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.005 0.431 . . . . 0.0 111.848 -174.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.3 t -120.46 157.95 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.501 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -100.21 128.55 46.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.387 0.275 . . . . 0.0 110.55 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -122.5 164.09 18.73 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.821 0.343 . . . . 0.0 111.001 -177.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.3 t -129.67 122.79 29.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.453 HG12 ' HB ' ' A' ' 54' ' ' VAL . 65.7 mt -75.35 123.03 88.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.278 -175.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.22 117.41 4.16 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.899 2.399 . . . . 0.0 111.937 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -75.12 -0.58 19.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.2 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.1 -37.51 78.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.232 0.539 . . . . 0.0 110.555 176.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.9 p -119.06 -42.15 2.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.575 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.39 6.7 44.2 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.246 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -124.59 147.59 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.555 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 6.8 p -113.22 116.84 53.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.552 0.692 . . . . 0.0 110.723 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -96.23 116.21 28.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.084 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 36.1 t -79.93 138.51 37.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.797 0.332 . . . . 0.0 110.825 -177.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -101.59 -6.2 50.48 Favored Glycine 0 N--CA 1.451 -0.32 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.89 -39.01 17.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.9 0.381 . . . . 0.0 110.881 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.7 p -148.55 -178.92 6.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.418 -175.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -84.01 42.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.289 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 20.6 mmt180 -100.95 130.51 46.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.298 -178.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -128.22 120.52 27.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.842 172.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.583 ' CD2' ' HB ' ' A' ' 22' ' ' VAL . 91.5 m-85 -110.58 134.1 52.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.973 0.416 . . . . 0.0 110.926 -176.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.7 mm -109.77 124.94 66.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.559 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -72.49 138.23 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -53.9 -30.5 46.39 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 123.413 0.446 . . . . 0.0 112.182 -177.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.9 t -69.73 -25.79 64.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.372 . . . . 0.0 110.795 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -104.35 -3.43 24.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.297 0.57 . . . . 0.0 110.102 179.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.62 -179.393 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.665 0.269 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.3 t -103.43 126.04 57.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.322 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 65' ' ' HIS . 15.7 m -136.5 158.2 37.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.048 0.451 . . . . 0.0 111.364 -175.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.9 t -104.24 -20.54 13.75 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 m -72.65 132.88 44.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.151 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -82.98 -12.3 57.4 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.774 0.286 . . . . 0.0 111.774 -175.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -132.56 124.12 27.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.8 0.333 . . . . 0.0 110.807 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.51 157.3 32.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.051 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.23 109.96 22.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.4 t -95.18 125.15 39.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.31 0.576 . . . . 0.0 109.693 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -138.3 20.73 2.77 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.553 -173.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.743 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.931 -175.373 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.477 ' CE1' ' HG ' ' A' ' 31' ' ' CYS . 26.4 p80 . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.432 ' O ' HG23 ' A' ' 43' ' ' VAL . 64.7 Cg_exo -52.58 138.1 58.08 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.501 2.134 . . . . 0.0 111.948 175.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 23.8 ttp180 -57.94 119.71 7.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.359 0.6 . . . . 0.0 112.378 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 41' ' ' PRO . 12.2 t -125.7 157.96 34.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.29 177.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -107.93 109.83 21.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.842 0.353 . . . . 0.0 110.311 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.1 162.3 13.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.536 -176.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 t -125.6 146.47 49.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.191 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.535 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 56.5 mt -80.73 120.86 80.25 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.538 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.36 124.7 15.7 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.656 2.237 . . . . 0.0 111.43 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -76.66 -6.74 53.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.685 -175.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.433 ' HG3' HG21 ' A' ' 51' ' ' THR . 13.8 pt-20 -83.52 -25.1 31.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.823 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.503 ' HB ' ' CE1' ' A' ' 53' ' ' PHE . 7.9 p -111.21 -50.0 2.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.508 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.87 6.61 42.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.811 -176.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.503 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 42.9 p90 -153.11 155.55 36.98 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.535 ' HB ' ' HA ' ' A' ' 47' ' ' ILE . 5.7 p -125.8 122.11 61.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.357 0.598 . . . . 0.0 111.35 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.31 122.9 38.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.891 172.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.545 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 51.9 t -63.85 134.1 54.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.885 0.374 . . . . 0.0 110.416 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.21 -1.69 88.31 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.608 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -104.67 -32.49 8.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.804 0.335 . . . . 0.0 111.09 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.545 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 48.5 t -155.65 168.01 28.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -78.98 39.57 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.938 0.875 . . . . 0.0 111.07 -176.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.426 ' HD3' ' HA ' ' A' ' 61' ' ' ARG . 20.0 mmt180 -78.85 112.29 15.85 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 170.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -119.51 113.21 20.4 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.29 -170.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -103.91 131.81 50.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.814 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.466 HD11 ' HB2' ' A' ' 53' ' ' PHE . 15.8 mm -113.46 137.83 45.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.834 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.435 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 50.5 t-80 -74.12 145.42 44.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 67' ' ' SER . 13.8 pt-20 -52.03 -39.34 59.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.232 -177.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 16.4 t -80.26 -16.98 53.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.601 0.239 . . . . 0.0 111.233 -173.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -90.77 -22.7 20.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 109.758 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.253 -179.654 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 C--O 1.235 0.311 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.24 122.92 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.215 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.8 m -121.3 154.08 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.224 0.535 . . . . 0.0 111.551 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 m -97.97 -6.89 31.13 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.323 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 m -109.6 129.02 55.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.344 -176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -71.69 -41.84 68.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.904 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -111.66 112.01 23.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.224 0.535 . . . . 0.0 110.054 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.9 m -122.33 155.88 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.53 -172.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.81 116.79 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.97 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.7 t -96.08 138.39 33.77 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -128.85 11.87 6.17 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.583 0.706 . . . . 0.0 110.254 -172.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.527 -179.042 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.1 p80 . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.439 ' O ' HG21 ' A' ' 43' ' ' VAL . 50.7 Cg_exo -54.74 146.47 55.0 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.174 1.916 . . . . 0.0 111.049 173.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -64.59 115.52 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 41' ' ' PRO . 10.9 t -115.75 156.92 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.045 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -105.79 119.01 38.05 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.877 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -105.0 165.62 10.95 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.663 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.1 t -139.12 113.25 8.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.48 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.485 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 68.5 mt -75.3 121.18 84.67 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.457 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.44 123.97 14.16 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.413 2.075 . . . . 0.0 111.341 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -71.56 -17.63 62.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.422 -176.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -88.57 -3.87 58.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.003 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.9 m -117.48 -46.03 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.13 -26.34 24.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.406 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -136.83 156.47 48.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.487 HG11 ' HB2' ' A' ' 63' ' ' TYR . 14.0 p -111.44 134.37 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.041 0.448 . . . . 0.0 110.548 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -101.65 109.07 20.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 42.4 t -76.84 143.46 39.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.136 0.493 . . . . 0.0 111.031 -176.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.37 -16.34 57.34 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.943 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -84.53 -29.95 25.52 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.683 0.278 . . . . 0.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 33.8 t -156.36 160.61 39.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -86.81 32.42 0.67 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.83 0.824 . . . . 0.0 110.628 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -82.27 118.48 23.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.15 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -91.63 112.3 24.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.655 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.487 ' HB2' HG11 ' A' ' 54' ' ' VAL . 93.3 m-85 -103.59 111.57 24.1 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.586 HD11 ' HD2' ' A' ' 68' ' ' PHE . 11.0 tt -113.55 136.5 49.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.806 0.336 . . . . 0.0 110.174 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -76.31 141.73 41.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -60.29 -19.25 54.2 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -175.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.0 t -64.39 -35.67 81.65 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.586 ' HD2' HD11 ' A' ' 64' ' ' ILE . 12.9 t80 -78.79 -19.18 52.8 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.338 0.589 . . . . 0.0 109.696 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.68 179.241 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.4 t -93.25 127.41 45.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.232 -177.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 65' ' ' HIS . 17.2 m -137.11 153.6 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.484 ' HG ' ' HG2' ' A' ' 66' ' ' GLU . 16.5 m -102.84 7.93 39.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.511 0.672 . . . . 0.0 109.717 173.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.0 m -105.8 135.05 47.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.571 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -88.72 -56.18 3.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.892 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -81.97 112.3 18.94 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 m -122.08 138.04 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-O 121.116 0.484 . . . . 0.0 111.282 -173.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.25 101.0 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.911 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -84.68 142.89 29.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -138.83 24.21 2.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.736 0.779 . . . . 0.0 109.233 -173.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.768 -176.927 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.5 p80 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.09 171.47 7.55 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.816 2.344 . . . . 0.0 112.204 176.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -66.43 119.31 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.88 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -119.49 152.37 22.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -97.8 112.27 24.24 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.451 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.08 163.29 15.38 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.2 t -140.14 117.71 11.53 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.981 0.42 . . . . 0.0 110.103 178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.472 HG12 ' CG1' ' A' ' 54' ' ' VAL . 58.5 mt -68.82 122.86 86.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.742 176.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 6.4 Cg_endo -50.44 131.38 32.1 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.721 2.281 . . . . 0.0 111.644 178.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -79.31 6.54 9.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.945 -166.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -124.01 -34.86 2.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.833 -174.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.47 -43.25 12.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.729 0.299 . . . . 0.0 110.911 178.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' HA3' ' CD2' ' A' ' 68' ' ' PHE . . . 89.3 15.22 59.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.781 172.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -149.27 154.75 39.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG1' HG12 ' A' ' 47' ' ' ILE . 14.5 p -143.85 135.41 22.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.313 0.578 . . . . 0.0 110.726 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -103.89 115.74 31.01 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 46.2 t -58.98 105.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 111.305 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.57 44.62 3.25 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.389 -0.685 . . . . 0.0 111.389 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -149.48 -44.67 0.14 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 50.8 t -102.02 -83.39 0.46 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.391 175.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 59' ' ' CYS . 24.9 t70 169.34 -35.5 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.702 0.626 . . . . 0.0 110.212 -178.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -60.17 144.76 49.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.75 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -103.52 142.14 34.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -121.42 144.28 48.76 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -141.7 147.61 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.937 0.399 . . . . 0.0 111.242 -178.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.438 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 44.6 t-80 -77.75 148.53 34.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.109 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' HG2' ' HG ' ' A' ' 25' ' ' SER . 2.1 pp20? -58.27 -32.84 68.78 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -175.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 t -68.84 -31.78 71.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.167 0.508 . . . . 0.0 110.83 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.529 ' CD2' ' HA3' ' A' ' 52' ' ' GLY . 97.0 m-85 -96.5 -7.0 35.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.11 0.481 . . . . 0.0 111.346 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.532 -176.713 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.427 ' CG1' ' HA ' ' A' ' 66' ' ' GLU . 47.3 t -88.89 122.14 39.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.451 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 m -128.1 148.23 32.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.473 0.654 . . . . 0.0 111.637 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 p -91.36 -7.92 49.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.137 176.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 m -98.13 137.87 36.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.33 -177.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -81.29 -39.5 25.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.912 0.387 . . . . 0.0 110.425 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -96.0 114.34 26.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.716 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.508 HG22 ' HB2' ' A' ' 45' ' ' LEU . 12.0 m -116.69 130.94 70.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.318 0.58 . . . . 0.0 111.164 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.11 104.59 17.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.58 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 t -82.23 139.41 34.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -178.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -127.95 13.69 6.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.477 -173.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-N 115.678 -0.692 . . . . 0.0 113.21 177.124 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.529 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 25.9 p80 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 30.4 Cg_endo -63.03 167.16 12.79 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.504 2.136 . . . . 0.0 112.053 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 ttm105 -56.04 118.69 4.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.685 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 t -119.99 157.15 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -108.81 116.93 32.93 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.066 0.46 . . . . 0.0 111.14 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.508 ' HB2' HG22 ' A' ' 29' ' ' VAL . 89.9 mt -114.83 162.52 16.77 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.0 t -140.0 129.74 24.52 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.5 mt -71.99 114.3 27.82 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.528 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.64 135.37 35.7 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.49 2.127 . . . . 0.0 111.535 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -74.38 0.38 14.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.255 0.55 . . . . 0.0 110.047 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.439 ' HG3' HG23 ' A' ' 51' ' ' THR . 11.7 pt-20 -97.76 -13.99 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.966 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.439 HG23 ' HG3' ' A' ' 50' ' ' GLU . 32.2 p -120.54 -48.74 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 111.758 -177.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.0 -6.03 53.74 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.648 -0.786 . . . . 0.0 111.995 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -158.03 167.01 31.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.2 p -139.92 138.25 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.941 0.401 . . . . 0.0 110.593 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -106.15 134.47 49.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.713 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.7 t -75.02 146.52 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.352 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -95.98 -17.82 33.85 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.149 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -90.87 -57.77 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.355 0.598 . . . . 0.0 110.427 177.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -103.06 167.96 9.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.58 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.53 6.11 39.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.013 0.435 . . . . 0.0 110.8 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -73.28 148.59 43.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.318 -178.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -122.99 147.1 47.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.169 -175.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -125.95 122.65 36.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.6 mt -122.84 142.99 37.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.383 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.85 143.66 55.66 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.018 0.437 . . . . 0.0 111.045 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 8.7 pt-20 -48.76 -39.74 26.13 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.222 -0.899 . . . . 0.0 113.407 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 71.1 m -70.42 -17.82 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -173.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -81.06 -22.52 39.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.231 0.538 . . . . 0.0 110.297 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.579 -176.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 C--O 1.237 0.425 0 CA-C-O 120.602 0.239 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 46.8 t -87.92 118.45 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.9 m -118.77 156.12 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.028 -172.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -105.97 -3.04 22.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.897 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -107.61 134.79 50.1 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.043 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -80.06 -35.06 37.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 110.957 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 45' ' ' LEU . 30.3 mtpp -96.85 105.77 17.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 176.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.72 138.23 31.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.157 0.503 . . . . 0.0 111.502 -174.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.59 103.29 15.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.623 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.3 t -103.54 139.68 38.54 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.093 0.473 . . . . 0.0 110.459 -176.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -135.66 19.77 3.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.172 0.987 . . . . 0.0 108.525 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.664 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.912 -172.759 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.566 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 32.2 p80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.469 ' O ' HG21 ' A' ' 43' ' ' VAL . 35.3 Cg_exo -60.47 156.25 42.66 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.536 2.157 . . . . 0.0 111.763 175.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -57.07 115.19 2.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.121 0.486 . . . . 0.0 111.888 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 41' ' ' PRO . 11.3 t -120.72 155.29 24.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.458 176.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -110.02 103.24 11.95 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.2 mt -92.2 172.09 8.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.76 -174.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 m -135.88 109.38 7.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.689 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.2 mt -72.4 127.45 90.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.698 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.36 132.16 47.13 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.547 2.165 . . . . 0.0 111.768 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -79.52 -18.32 52.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.381 -175.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -93.08 6.69 47.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.346 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.0 p -118.84 -56.47 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.742 0.306 . . . . 0.0 111.149 176.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.99 0.34 54.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.864 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -166.68 163.54 16.72 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.8 p -166.43 145.52 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.74 0.305 . . . . 0.0 110.704 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 2.4 mp0 -77.98 158.62 29.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 173.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.0 t -73.71 138.07 44.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.18 -12.29 79.55 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.091 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -110.64 -24.83 10.29 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.566 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 93.8 m -138.96 162.83 33.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.332 0.587 . . . . 0.0 112.152 -176.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.06 -31.89 73.13 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 114.708 -1.133 . . . . 0.0 113.612 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -65.58 150.06 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.416 0.627 . . . . 0.0 112.191 -172.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 62' ' ' ARG . 42.8 ttm105 -120.12 145.84 46.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.895 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -111.74 147.76 34.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.249 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 67.3 mt -125.92 137.51 57.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.018 -173.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -83.87 146.78 27.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.442 177.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 67' ' ' SER . 7.6 pt-20 -45.05 -39.81 6.1 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 50.8 m -75.83 -4.08 38.7 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -172.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -93.28 -28.92 15.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.912 0.387 . . . . 0.0 110.21 175.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.688 -174.543 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ppp? . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.809 0.337 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -85.64 103.5 14.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.304 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -101.04 154.48 18.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.259 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 79.1 mt-30 -74.06 115.93 47.44 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 120.957 0.408 . . . . 0.0 110.197 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 4' ' ' GLN . 31.7 Cg_exo -58.59 131.68 43.87 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.102 2.535 . . . . 0.0 112.729 -175.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -90.93 111.73 23.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.03 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -89.32 91.92 8.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.414 0.626 . . . . 0.0 110.786 -176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -97.1 99.55 11.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.988 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -92.58 7.52 42.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.062 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -76.04 107.55 8.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.549 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.7 m -127.86 99.37 5.5 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.85 130.0 41.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.26 -175.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -151.36 122.97 7.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.948 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 64.1 mtt -103.29 110.49 22.49 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.434 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -90.98 50.94 1.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.504 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.471 HG21 ' H ' ' A' ' 18' ' ' ALA . 25.9 mt 64.15 164.51 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.613 0.765 . . . . 0.0 110.845 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -140.26 21.95 2.4 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.409 -173.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' H ' HG21 ' A' ' 16' ' ' ILE . . . -149.63 89.42 4.73 Favored Pre-proline 0 C--N 1.313 -0.983 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.095 -175.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -96.43 150.67 1.2 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.254 2.636 . . . . 0.0 110.877 169.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.08 96.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.579 0.704 . . . . 0.0 110.377 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 85.5 m -138.48 139.66 38.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.541 -174.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.515 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 48.9 t -113.4 131.1 66.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.009 176.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -86.97 123.94 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.931 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.2 m -119.58 153.73 22.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.285 0.564 . . . . 0.0 111.578 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -102.57 -3.82 26.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.289 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.8 m -119.39 130.99 55.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.428 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -66.84 -29.28 69.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.731 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -97.13 113.87 25.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -113.24 150.86 15.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.994 0.426 . . . . 0.0 110.525 -176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.7 104.68 14.44 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.606 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 13.0 t -92.62 155.79 17.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.859 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -171.45 84.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -173.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.493 ' HA2' ' HA2' ' A' ' 39' ' ' GLY . . . 103.98 -153.61 17.76 Favored Glycine 0 C--N 1.314 -0.674 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.423 173.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.67 -144.06 6.43 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.087 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.84 170.04 8.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.95 -125.52 39.22 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.866 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.99 11.75 31.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.176 0.512 . . . . 0.0 110.715 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.7 mt -83.43 120.61 26.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.399 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.493 ' HA2' ' HA2' ' A' ' 33' ' ' GLY . . . -153.29 145.14 12.29 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.991 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.661 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 34.8 p80 -155.49 157.26 31.56 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.62 171.13 11.23 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.504 2.136 . . . . 0.0 112.302 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 39.2 ttm180 -63.09 121.51 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.619 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -129.02 154.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -106.75 119.58 39.71 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.181 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.0 mt -110.71 159.24 17.79 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.226 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.6 t -124.08 120.99 33.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.843 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.712 HG12 HG13 ' A' ' 54' ' ' VAL . 59.4 mt -80.91 121.69 81.15 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.397 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.484 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 31.6 Cg_exo -60.84 124.46 15.0 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.669 2.246 . . . . 0.0 111.246 176.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -72.15 -28.16 63.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 -170.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.9 pm0 -92.85 5.73 50.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.234 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.484 ' HB ' ' HB2' ' A' ' 48' ' ' PRO . 17.0 m -115.36 -39.11 3.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.38 -37.21 3.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.354 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.515 ' HB3' HG13 ' A' ' 64' ' ' ILE . 37.5 p90 -148.0 166.31 28.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.754 0.311 . . . . 0.0 110.927 -178.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.712 HG13 HG12 ' A' ' 47' ' ' ILE . 10.4 p -143.33 143.91 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.109 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -99.31 149.34 23.23 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 52.9 t -74.58 137.87 42.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.62 -13.56 81.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.342 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -104.91 -61.05 1.52 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.103 0.478 . . . . 0.0 110.818 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.661 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 74.9 m -97.35 155.27 16.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.012 -176.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.34 8.05 12.36 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -80.32 129.88 34.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.053 0.454 . . . . 0.0 110.25 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 21' ' ' THR . 5.6 tmm_? -103.6 143.66 32.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.926 -177.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.515 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 94.0 m-85 -117.63 135.88 53.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.284 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.631 HD11 ' HD2' ' A' ' 68' ' ' PHE . 15.1 tt -137.37 144.36 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.648 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -73.09 144.3 47.06 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -53.77 -33.46 55.94 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -176.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.3 t -67.78 -33.44 74.82 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 -177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.631 ' HD2' HD11 ' A' ' 64' ' ' ILE . 7.6 t80 -88.22 -14.96 37.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.224 0.535 . . . . 0.0 110.031 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.15 -37.67 14.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.261 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.81 13.75 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.58 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.19 124.51 29.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.056 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -79.31 69.36 5.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 122.186 0.993 . . . . 0.0 110.302 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.9 mt -134.33 160.26 38.46 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 113.943 -1.48 . . . . 0.0 109.385 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -80.78 101.44 9.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.183 0.516 . . . . 0.0 111.203 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -85.4 71.08 10.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.82 77.61 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.086 -176.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -151.08 75.16 1.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -105.89 -47.53 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.29 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -147.29 146.37 29.71 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.118 176.761 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.9 ttp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.79 0.329 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -99.43 110.95 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -82.87 113.18 20.31 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.162 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.37 98.08 49.83 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -63.32 118.46 5.38 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.86 2.373 . . . . 0.0 112.591 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 34.7 mmtt -122.43 129.24 51.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.828 176.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 p -109.49 158.41 18.0 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.3 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -142.88 92.11 2.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.579 0.704 . . . . 0.0 109.808 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -106.33 133.3 51.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.88 -173.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -118.8 102.63 8.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.587 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.8 m -138.33 31.32 2.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.98 0.419 . . . . 0.0 111.261 -177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.48 105.55 5.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.3 mmp_? -115.98 -14.99 11.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.523 -175.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 87.2 mtp -115.7 153.24 31.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.835 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t 66.1 80.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.687 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.528 HD13 ' H ' ' A' ' 16' ' ' ILE . 0.8 OUTLIER -100.86 159.88 3.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 174.662 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -157.5 167.78 29.2 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -175.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -59.39 115.61 13.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 123.37 0.418 . . . . 0.0 110.806 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 16.5 Cg_exo -67.18 145.61 73.32 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.032 2.488 . . . . 0.0 112.632 -176.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.62 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 25.3 tp10 -109.01 102.31 11.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.76 177.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -130.52 133.92 46.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.296 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.98 137.74 48.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.174 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.4 t -95.26 121.56 45.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 174.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.05 147.55 26.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.281 0.562 . . . . 0.0 111.863 -174.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.8 m -103.04 -17.61 15.35 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.029 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.1 p -93.58 154.45 17.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.51 -176.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -79.65 -55.39 5.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.586 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -94.87 121.66 36.69 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -116.62 152.15 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.07 106.32 18.54 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.723 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 41.6 t -89.85 141.88 28.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -135.8 26.56 3.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.618 0.723 . . . . 0.0 110.551 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.5 -149.89 19.44 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.766 -0.73 . . . . 0.0 113.449 174.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -171.76 -127.38 0.95 Allowed Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -74.33 170.93 14.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.679 0.276 . . . . 0.0 111.438 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.71 79.19 0.59 Allowed Glycine 0 C--N 1.334 0.422 0 CA-C-N 116.041 -0.527 . . . . 0.0 113.156 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 170.8 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.894 -1.153 . . . . 0.0 108.501 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.582 ' HB3' ' HB2' ' A' ' 59' ' ' CYS . 78.5 mt -116.96 33.98 5.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.84 -177.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.74 142.5 16.02 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.609 -177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.529 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 33.8 p80 -166.18 162.97 12.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 63.4 Cg_endo -73.01 177.24 8.01 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.407 2.071 . . . . 0.0 112.614 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 41.0 ttm180 -61.15 115.24 3.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.593 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.636 HG23 ' H ' ' A' ' 44' ' ' TRP . 9.9 p -122.6 169.81 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.049 176.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.636 ' H ' HG23 ' A' ' 43' ' ' VAL . 99.0 m95 -107.62 110.63 22.56 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.095 -176.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -105.15 165.73 10.89 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 t -147.85 129.51 15.08 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.558 HD12 HG12 ' A' ' 54' ' ' VAL . 46.2 mm -69.1 114.46 23.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.537 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.525 ' HD3' ' HB ' ' A' ' 54' ' ' VAL . 35.7 Cg_exo -60.82 125.99 18.58 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.728 2.285 . . . . 0.0 111.531 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -75.76 -5.81 47.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.258 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -107.19 5.39 27.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.574 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.44 ' HB ' ' HB2' ' A' ' 48' ' ' PRO . 11.5 m -135.46 -53.25 0.77 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -174.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.95 -19.4 35.4 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.144 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -149.76 163.13 38.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.558 HG12 HD12 ' A' ' 47' ' ' ILE . 11.3 p -155.21 148.62 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.203 0.525 . . . . 0.0 111.361 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -120.17 154.48 34.73 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.31 156.99 18.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.046 0.451 . . . . 0.0 111.104 -174.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.72 -19.54 47.67 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.574 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -84.98 -22.1 29.26 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.415 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.582 ' HB2' ' HB3' ' A' ' 38' ' ' LEU . 13.4 p -154.52 145.4 22.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.602 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.21 34.22 0.2 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.677 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.62 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 34.3 ttt180 -86.68 137.8 32.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -110.3 132.05 54.51 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.483 -176.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -114.25 120.25 39.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.899 0.38 . . . . 0.0 110.276 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.2 mm -113.12 132.05 63.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.717 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -69.68 143.33 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -52.53 -30.93 33.05 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -71.02 -18.45 62.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.699 0.285 . . . . 0.0 111.167 -176.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -103.33 -12.9 16.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.347 0.594 . . . . 0.0 110.508 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.85 57.83 1.01 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.208 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 64.76 17.26 10.88 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.927 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 68.0 -171.28 0.19 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.668 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -133.14 163.4 29.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.616 -176.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.8 136.22 57.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 111.268 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -85.39 108.41 17.83 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.095 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -147.16 117.0 7.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.09 0.472 . . . . 0.0 111.335 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -147.43 177.46 9.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.098 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -102.35 141.4 35.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.959 0.409 . . . . 0.0 110.631 -177.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -153.2 148.89 27.41 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.204 -177.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -152.53 168.02 26.92 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.3 p80 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.439 179.066 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.479 ' HG3' ' H ' ' A' ' 3' ' ' ARG . 47.3 tpp . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -90.03 4.61 49.68 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -172.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.479 ' H ' ' HG3' ' A' ' 1' ' ' MET . 38.3 mtm180 -80.32 91.72 5.69 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 171.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.494 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 75.2 mt-30 -122.31 170.17 8.34 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.294 -173.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' A' ' 4' ' ' GLN . 75.5 Cg_exo -50.8 104.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.048 2.499 . . . . 0.0 114.036 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -98.11 114.29 26.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.707 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.7 t -170.33 159.61 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.013 0.435 . . . . 0.0 111.07 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -151.84 113.09 4.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.032 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -77.41 157.55 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.119 0.485 . . . . 0.0 111.089 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -99.41 137.69 37.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m 60.26 92.11 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 O-C-N 123.943 0.777 . . . . 0.0 111.601 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.11 -8.17 30.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.522 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 tpp180 69.11 -74.02 0.08 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.282 0.633 . . . . 0.0 111.655 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -66.19 122.63 17.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.964 0.411 . . . . 0.0 110.797 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.8 m -104.11 105.33 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.139 0.495 . . . . 0.0 110.757 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.33 167.51 22.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -112.66 178.1 4.41 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -91.9 130.36 38.8 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.219 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 18.5 Cg_exo -67.05 165.68 25.54 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.135 2.557 . . . . 0.0 112.052 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -85.47 130.03 34.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.926 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -90.87 162.51 14.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.329 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.52 113.14 40.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.962 0.41 . . . . 0.0 110.528 -176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 58.3 t -90.37 123.43 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.089 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.32 151.28 13.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.388 0.613 . . . . 0.0 111.355 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -102.37 0.12 33.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.466 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -114.81 157.93 22.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.946 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -90.29 -27.56 19.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.95 0.405 . . . . 0.0 110.282 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -98.17 140.3 32.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.074 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 45' ' ' LEU . 4.9 m -131.5 119.2 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-O 121.511 0.672 . . . . 0.0 110.651 174.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.01 93.62 9.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.029 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' HG ' ' CE1' ' A' ' 40' ' ' HIS . 49.2 t -85.7 127.79 34.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.547 0.689 . . . . 0.0 110.587 -172.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -114.44 6.88 16.11 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.629 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.574 ' HA3' ' HA2' ' A' ' 39' ' ' GLY . . . 97.67 -157.91 20.81 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.213 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.32 -128.39 6.37 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.913 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.61 175.06 5.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.851 0.358 . . . . 0.0 111.305 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 38' ' ' LEU . . . -53.12 133.24 41.73 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.997 -177.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 71.79 -18.32 0.31 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.816 0.846 . . . . 0.0 112.351 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 38' ' ' LEU . 1.1 tm? -87.58 -23.51 24.3 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.574 ' HA2' ' HA3' ' A' ' 33' ' ' GLY . . . -73.79 -168.98 17.58 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.693 -0.685 . . . . 0.0 113.508 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.564 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 6.9 p80 -147.61 169.53 9.17 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.564 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 7.5 Cg_endo -50.18 140.58 32.9 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.378 2.052 . . . . 0.0 111.379 173.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 33.1 ttm180 -66.26 120.77 13.84 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.479 -174.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.9 t -119.52 156.2 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.781 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -109.39 107.6 17.84 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.236 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.525 ' HB2' HG23 ' A' ' 29' ' ' VAL . 68.9 mt -105.99 160.76 15.04 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.7 t -136.95 130.07 31.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.902 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.7 mt -73.73 129.35 85.37 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.236 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -51.67 121.44 8.59 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.835 2.356 . . . . 0.0 111.925 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -77.16 70.59 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.418 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' HG3' HG23 ' A' ' 51' ' ' THR . 9.5 pt-20 -173.27 -33.76 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.496 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.47 HG23 ' HG3' ' A' ' 50' ' ' GLU . 25.9 p -107.77 -75.51 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.498 -176.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.633 ' HA3' ' HB2' ' A' ' 68' ' ' PHE . . . 129.74 8.58 3.42 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.573 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -136.24 153.44 51.21 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -133.59 -45.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.02 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.539 ' HG2' ' HG3' ' A' ' 62' ' ' ARG . 48.4 mt-10 65.68 -167.17 0.22 Allowed 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.291 0.37 . . . . 0.0 110.032 -174.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.1 t -142.12 138.71 31.84 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.159 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.51 41.25 2.27 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 174.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -155.49 -48.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.8 t -106.58 162.15 13.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.267 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.19 12.64 28.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.896 0.379 . . . . 0.0 111.485 -176.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 61' ' ' ARG . 10.4 mtp180 -89.92 128.44 36.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.498 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.539 ' HG3' ' HG2' ' A' ' 55' ' ' GLU . 44.1 ttm180 -91.74 147.17 23.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.966 176.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -128.27 135.26 49.41 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.514 0.197 . . . . 0.0 110.489 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 79.7 mt -128.33 135.27 63.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.437 -177.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -79.48 148.8 31.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -54.48 -31.07 55.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.596 ' HA ' ' O ' ' A' ' 71' ' ' ALA . 10.8 t -74.19 -31.07 62.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.548 0.213 . . . . 0.0 110.813 -177.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.633 ' HB2' ' HA3' ' A' ' 52' ' ' GLY . 74.5 t80 -79.55 -20.47 46.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.522 0.677 . . . . 0.0 109.474 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.16 -58.34 3.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.739 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -170.23 -33.69 0.02 OUTLIER 'General case' 0 C--O 1.232 0.172 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.596 ' O ' ' HA ' ' A' ' 67' ' ' SER . . . -70.16 144.14 52.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.276 0.56 . . . . 0.0 112.021 -172.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -125.67 143.32 51.09 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.6 mt -96.57 141.22 30.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.035 0.445 . . . . 0.0 111.348 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.538 ' CD ' ' H ' ' A' ' 75' ' ' HIS . 1.8 tm-20 -101.35 -166.86 1.35 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.538 ' H ' ' CD ' ' A' ' 74' ' ' GLU . 61.7 m80 59.5 34.51 22.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.463 0.649 . . . . 0.0 110.501 -177.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -84.17 3.97 32.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.289 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -57.51 104.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.545 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -105.37 134.1 49.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -83.68 135.83 34.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.044 0.45 . . . . 0.0 111.394 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.883 175.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 2' ' ' ARG . 25.8 mmt180 -114.37 101.77 9.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.235 0.541 . . . . 0.0 112.138 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -149.63 93.07 2.0 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.626 171.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.73 117.29 68.32 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.9 108.64 0.78 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.89 2.394 . . . . 0.0 112.563 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -130.24 95.69 3.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.001 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.4 m -116.93 131.27 57.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.478 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -101.68 102.06 12.68 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -95.92 110.86 22.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.369 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -128.49 104.03 7.46 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.348 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -120.37 84.44 2.22 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.38 117.0 19.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.688 -171.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -75.11 -44.95 44.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.637 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.4 ttt -132.39 93.39 3.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.138 0.494 . . . . 0.0 109.965 178.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m -85.33 99.91 11.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.143 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mt -105.33 164.13 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -157.48 131.26 8.05 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.758 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.24 67.77 4.09 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 121.07 0.462 . . . . 0.0 110.708 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -93.17 164.04 2.51 Favored 'Trans proline' 0 N--CA 1.445 -1.339 0 C-N-CA 122.655 2.236 . . . . 0.0 111.71 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -117.79 86.99 2.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.571 0.7 . . . . 0.0 110.302 175.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -90.79 113.63 25.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.548 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.419 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 61.6 t -79.54 119.82 29.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.514 -174.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 45.7 t -82.39 116.21 26.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.457 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -109.98 153.07 11.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.886 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.4 t -112.64 7.0 18.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.832 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.3 m -128.79 132.69 47.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.243 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.45 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 87.3 m95 -79.9 -21.49 43.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.26 0.552 . . . . 0.0 111.188 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -102.03 103.98 14.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.966 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.8 m -109.47 151.47 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.82 0.343 . . . . 0.0 111.288 -175.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.71 112.19 18.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.663 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.586 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 39.1 t -100.75 149.02 24.24 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -141.79 26.12 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.694 0.759 . . . . 0.0 110.05 -176.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.72 -138.21 17.21 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.454 -0.793 . . . . 0.0 112.726 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -117.61 -156.79 10.49 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.156 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -63.88 151.33 42.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.875 0.369 . . . . 0.0 110.581 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.11 -122.28 23.41 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.55 -174.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -124.67 21.42 8.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.287 0.565 . . . . 0.0 109.606 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -73.79 112.57 10.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.236 -176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.36 -134.96 8.53 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.329 -0.939 . . . . 0.0 112.618 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -114.18 157.68 41.62 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 115.377 -0.411 . . . . 0.0 110.237 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.45 160.48 39.23 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.823 2.348 . . . . 0.0 112.082 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.586 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 8.4 tmm_? -52.76 132.56 36.62 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.058 0.456 . . . . 0.0 111.67 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.562 HG22 ' HE2' ' A' ' 58' ' ' TYR . 14.7 p -136.5 160.77 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.868 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.465 ' N ' HG21 ' A' ' 43' ' ' VAL . 97.4 m95 -112.22 129.95 56.09 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.758 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -123.56 163.22 21.41 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.1 t -129.45 109.87 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.661 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.48 HG12 HG12 ' A' ' 54' ' ' VAL . 58.8 mt -71.67 125.79 91.65 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.687 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 16.6 Cg_exo -67.61 126.15 14.35 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.593 2.196 . . . . 0.0 111.747 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.45 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 22.8 m-70 -68.23 -26.46 65.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.801 -176.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -75.83 -14.34 60.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.887 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.3 p -113.85 -37.57 4.48 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.327 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.528 ' HA3' ' CD1' ' A' ' 68' ' ' PHE . . . 83.88 -26.73 4.66 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.182 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -119.41 156.71 29.64 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.48 HG12 HG12 ' A' ' 47' ' ' ILE . 14.8 p -142.68 140.02 28.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.93 0.395 . . . . 0.0 111.056 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -94.52 132.91 38.69 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 52.0 t -68.49 135.43 51.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.989 0.423 . . . . 0.0 110.363 -178.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.4 -27.0 74.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.86 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.562 ' HE2' HG22 ' A' ' 43' ' ' VAL . 75.2 m-85 -87.2 -55.38 3.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.217 0.532 . . . . 0.0 111.18 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.552 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 12.3 p -119.19 154.81 32.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.022 -171.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -77.03 40.86 0.27 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.056 0.931 . . . . 0.0 110.605 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.451 ' H ' ' C ' ' A' ' 59' ' ' CYS . 16.8 ttt180 -100.11 142.57 31.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.756 174.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -122.84 139.36 54.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.096 0.474 . . . . 0.0 110.909 -175.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.419 ' CD2' ' HB ' ' A' ' 22' ' ' VAL . 91.6 m-85 -120.07 142.17 49.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.635 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 18.3 tt -133.8 138.0 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.273 -178.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -72.29 147.77 46.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.406 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -49.7 -37.36 28.68 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.621 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.1 t -63.74 -42.09 97.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.528 ' CD1' ' HA3' ' A' ' 52' ' ' GLY . 43.7 m-85 -84.15 -9.12 58.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.929 0.395 . . . . 0.0 110.977 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.82 64.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.879 175.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.38 -27.92 52.66 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.91 173.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 74.4 -70.49 0.15 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.017 175.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -167.56 -36.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.67 -173.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.4 mt -93.45 167.75 11.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.679 -174.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 76.46 112.74 0.07 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.501 1.126 . . . . 0.0 111.507 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -129.39 86.51 2.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.865 0.841 . . . . 0.0 109.788 174.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -148.25 -177.35 5.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.274 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -89.37 91.89 8.92 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.409 ' C ' ' H ' ' A' ' 80' ' ' HIS . 6.0 t60 -76.41 82.63 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.373 -173.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 73.62 -13.43 0.74 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.76 0.824 . . . . 0.0 111.606 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.409 ' H ' ' C ' ' A' ' 78' ' ' HIS . 13.0 p80 . . . . . 0 C--O 1.249 1.043 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.788 0.328 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -76.93 110.0 11.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.6 99.38 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.767 -178.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -174.06 89.44 0.35 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.144 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -86.81 124.05 2.16 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.621 2.214 . . . . 0.0 112.461 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -90.56 -9.47 47.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.191 0.52 . . . . 0.0 110.418 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.3 m -133.86 128.86 35.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.824 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -101.26 128.86 47.21 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -135.98 175.81 9.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.125 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 61.74 35.48 16.81 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.625 0.578 . . . . 0.0 110.675 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.5 m -84.18 139.57 32.31 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.911 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 73.31 -57.28 0.64 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.407 0.683 . . . . 0.0 110.814 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -97.79 95.55 7.62 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 173.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 84.6 mtp -75.9 -30.12 58.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.214 -173.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m 68.7 131.96 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 O-C-N 124.028 0.83 . . . . 0.0 111.963 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 pp -112.81 154.3 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.995 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -81.29 100.54 9.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.68 132.52 61.18 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.991 -174.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.24 170.8 18.03 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.629 2.219 . . . . 0.0 111.238 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.505 ' O ' ' HB ' ' A' ' 21' ' ' THR . 0.5 OUTLIER 68.52 174.66 0.28 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -176.414 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 20' ' ' GLU . 18.7 m 66.92 141.81 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.66 0.743 . . . . 0.0 111.101 -176.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.498 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 46.1 t -101.2 104.35 16.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 O-C-N 121.971 -0.456 . . . . 0.0 111.275 -173.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.458 HG22 ' HB ' ' A' ' 64' ' ' ILE . 72.0 t -99.91 125.13 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.05 172.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.8 163.27 22.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.345 0.593 . . . . 0.0 111.971 -172.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 t -99.84 -0.57 39.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 174.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 m -98.45 133.93 42.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.062 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -78.17 -36.04 48.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.755 0.312 . . . . 0.0 111.406 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -87.01 115.24 24.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.181 0.515 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.6 135.37 59.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.05 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.55 106.03 18.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.3 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.4 t -86.67 148.65 25.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.934 -178.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -163.88 72.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.621 0.725 . . . . 0.0 109.527 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.636 ' HA2' ' HA2' ' A' ' 39' ' ' GLY . . . 105.84 -170.24 16.79 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.087 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.742 ' HA3' ' SG ' ' A' ' 59' ' ' CYS . . . -176.64 -159.86 22.81 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.658 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -74.73 154.5 38.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 110.411 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.38 -127.83 14.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.681 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -114.78 14.29 17.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.774 0.321 . . . . 0.0 110.688 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.7 71.55 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.045 0.45 . . . . 0.0 111.272 -176.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.636 ' HA2' ' HA2' ' A' ' 33' ' ' GLY . . . -100.28 150.87 19.0 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.633 176.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 31.7 p80 -158.24 161.92 27.79 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 13.5 Cg_endo -57.88 159.24 18.31 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.655 2.237 . . . . 0.0 111.931 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 5.1 tmm_? -65.43 128.91 37.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.317 0.579 . . . . 0.0 111.079 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -126.82 156.76 38.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.727 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -104.65 112.1 25.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.129 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.7 mt -108.17 153.77 22.69 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.037 0.446 . . . . 0.0 110.884 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 t -120.62 106.98 12.27 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.12 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.545 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 70.7 mt -54.04 123.17 39.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.982 -178.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.416 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 99.8 Cg_exo -44.58 118.65 1.89 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.327 2.685 . . . . 0.0 112.34 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -81.12 -6.97 59.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.029 -167.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.85 -25.49 13.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.983 0.421 . . . . 0.0 110.928 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.416 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 4.0 p -99.38 -52.53 3.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.589 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.92 7.73 26.85 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.31 -0.947 . . . . 0.0 113.028 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -149.44 145.35 26.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.545 ' HB ' ' HA ' ' A' ' 47' ' ' ILE . 7.2 p -113.24 130.15 67.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.447 0.641 . . . . 0.0 111.835 -177.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -104.55 109.66 21.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.256 -0.883 . . . . 0.0 108.729 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.79 136.68 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.005 0.431 . . . . 0.0 111.338 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.71 35.02 3.98 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.903 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -150.34 -61.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.742 ' SG ' ' HA3' ' A' ' 34' ' ' GLY . 23.3 t -102.63 177.69 4.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.813 179.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.93 57.64 0.64 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.809 0.814 . . . . 0.0 109.859 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.507 ' HD2' ' HA2' ' A' ' 34' ' ' GLY . 1.4 mmp_? -112.58 124.83 53.41 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.326 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -102.73 116.6 32.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.163 0.506 . . . . 0.0 111.073 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.498 ' HB2' HG12 ' A' ' 54' ' ' VAL . 38.7 m-85 -103.01 131.18 50.18 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.458 ' HB ' HG22 ' A' ' 23' ' ' VAL . 59.3 mt -113.83 139.44 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.837 0.351 . . . . 0.0 110.682 -174.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -85.65 144.43 27.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -54.98 -28.76 54.27 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 t -72.33 -30.69 64.98 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.069 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -79.92 -27.26 39.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.052 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 173.5 97.28 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.257 -175.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.16 -69.96 0.67 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.859 0.362 . . . . 0.0 111.424 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -165.45 -173.54 2.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.935 -177.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -98.57 -39.11 8.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.7 mt -107.45 -163.05 0.87 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.589 175.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -70.21 -40.27 74.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.9 t60 48.98 37.28 9.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.856 0.862 . . . . 0.0 112.634 170.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -116.64 138.14 51.66 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 174.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -76.13 113.55 13.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.555 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -77.02 101.88 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.906 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -98.93 -174.85 2.88 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.807 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 C--N 1.319 -0.742 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.233 179.757 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 120.674 0.273 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -146.9 117.58 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.67 -172.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -127.88 133.95 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.468 ' HA ' ' OE1' ' A' ' 4' ' ' GLN . 12.2 mm-40 -120.22 93.24 47.94 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -94.13 83.59 0.15 Allowed 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 123.067 2.511 . . . . 0.0 110.444 169.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -76.06 -53.26 8.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.006 0.432 . . . . 0.0 111.007 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.535 HG22 ' HA ' ' A' ' 68' ' ' PHE . 28.0 m -92.36 111.2 22.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.256 -176.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.724 HH21 ' HB2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -118.89 149.96 40.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 173.125 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.425 ' HA ' ' OG ' ' A' ' 67' ' ' SER . 85.2 mt-30 -83.72 61.89 6.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.565 0.697 . . . . 0.0 110.032 176.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -105.99 -153.5 0.49 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.165 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.7 m -129.56 163.22 26.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.282 0.563 . . . . 0.0 111.975 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.68 89.04 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.454 170.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.7 53.55 2.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.825 -174.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.411 ' HB3' HD13 ' A' ' 16' ' ' ILE . 59.7 mtt -140.96 157.6 45.12 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.467 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.9 m -148.83 33.11 0.76 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.474 HD13 ' H ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -100.9 163.11 3.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -69.72 116.61 10.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.944 0.402 . . . . 0.0 110.884 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.3 147.66 65.97 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.795 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.549 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 57.9 Cg_endo -74.48 96.33 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.562 2.174 . . . . 0.0 113.148 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 4.4 mm-40 -179.88 -168.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.42 -1.264 . . . . 0.0 108.556 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -73.26 170.35 15.19 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.3 t -82.6 102.31 8.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.239 0.542 . . . . 0.0 110.919 -172.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.9 t -84.15 124.21 39.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.067 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.418 HG23 ' CD1' ' A' ' 47' ' ' ILE . 27.2 m -119.9 150.59 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.0 t -105.67 -6.83 18.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.668 0.747 . . . . 0.0 109.434 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -116.65 135.41 53.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.623 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -75.6 -37.59 59.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.985 0.421 . . . . 0.0 110.581 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -97.25 106.3 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' ' 45' ' ' LEU . 11.6 m -112.8 130.44 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.404 -175.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.76 107.98 19.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.799 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.4 t -97.98 138.41 35.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.911 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -124.27 14.8 9.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.839 0.828 . . . . 0.0 109.981 -176.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.437 ' HA3' ' HA3' ' A' ' 39' ' ' GLY . . . 85.46 -110.41 3.43 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.584 177.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.37 160.38 28.34 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.87 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.63 140.27 29.46 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.182 0.515 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.34 -129.2 8.91 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.591 -177.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.67 27.22 8.31 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.344 0.592 . . . . 0.0 109.937 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.8 mt -97.91 28.53 3.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.111 -175.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.437 ' HA3' ' HA3' ' A' ' 33' ' ' GLY . . . -143.93 175.58 23.73 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.287 -0.959 . . . . 0.0 112.833 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -90.25 166.62 19.29 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.96 149.29 80.19 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.179 1.919 . . . . 0.0 111.901 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -52.51 128.89 27.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.506 -176.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.47 HG21 ' N ' ' A' ' 44' ' ' TRP . 10.1 p -134.19 163.93 35.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-O 121.336 0.588 . . . . 0.0 111.06 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.47 ' N ' HG21 ' A' ' 43' ' ' VAL . 92.5 m95 -118.13 115.97 25.89 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.736 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HB2' HG23 ' A' ' 29' ' ' VAL . 68.5 mt -107.73 160.7 15.52 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 t -135.84 112.78 10.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.494 HG12 HG11 ' A' ' 54' ' ' VAL . 62.7 mt -72.7 128.84 87.73 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.992 -176.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.633 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 75.0 Cg_exo -50.28 123.97 12.11 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.982 2.455 . . . . 0.0 111.53 175.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -80.07 -13.99 58.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.16 -168.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.74 -5.72 22.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.779 0.323 . . . . 0.0 110.848 -178.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.633 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 67.1 p -100.31 -55.68 2.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.847 0.356 . . . . 0.0 110.238 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.56 5.56 53.89 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.092 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -153.47 156.29 37.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.703 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.494 HG11 HG12 ' A' ' 47' ' ' ILE . 10.1 p -149.39 146.74 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.364 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -107.05 132.75 52.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 44.1 t -84.77 99.83 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.67 -17.6 75.04 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.205 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -89.89 -26.32 20.52 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.713 0.292 . . . . 0.0 111.478 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -106.87 -85.24 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.2 t70 171.48 -40.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.881 0.738 . . . . 0.0 110.079 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -54.14 138.58 37.73 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.438 -174.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 49.2 ttm-85 -105.58 129.22 53.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.996 173.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -109.69 140.13 43.91 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -176.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.0 tt -131.41 144.91 36.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -72.15 146.92 47.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.7 0.286 . . . . 0.0 110.759 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -48.17 -46.01 34.23 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.014 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.581 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 37.7 t -70.37 -36.18 73.98 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.702 0.286 . . . . 0.0 111.222 -173.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.535 ' HA ' HG22 ' A' ' 7' ' ' THR . 87.6 m-85 -78.64 -17.95 55.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.911 0.386 . . . . 0.0 111.174 -177.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.41 -73.16 0.44 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.017 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.24 42.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.484 -176.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.581 ' HB2' ' HA ' ' A' ' 67' ' ' SER . . . -56.04 135.93 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.191 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.724 ' HB2' HH21 ' A' ' 8' ' ' ARG . 87.8 tttt -170.8 -30.6 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.316 0.579 . . . . 0.0 110.126 -177.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.8 mt -75.41 155.55 36.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.097 -176.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.98 179.05 8.16 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.151 178.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.48 75.41 0.43 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.5 m170 67.12 84.8 0.15 Allowed 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.919 -171.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -68.13 140.15 56.17 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -53.44 124.05 13.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.167 0.508 . . . . 0.0 110.935 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -85.1 -8.83 58.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.909 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.9 m80 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.643 175.101 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 tpt . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.37 -0.234 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 71.64 102.37 0.07 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.959 0.787 . . . . 0.0 111.327 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.404 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 31.9 mtm180 -120.09 109.4 15.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.426 176.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -103.57 105.67 48.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.808 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 3' ' ' ARG . 41.6 Cg_endo -90.12 158.01 4.77 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.868 2.379 . . . . 0.0 112.484 177.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 52.25 89.76 0.03 OUTLIER 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.888 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -168.29 137.51 2.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.812 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -125.12 106.7 10.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.965 0.412 . . . . 0.0 111.518 -175.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.19 91.47 8.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 171.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -70.14 100.78 1.71 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.672 0.748 . . . . 0.0 111.636 -174.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 t -102.16 112.62 25.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.075 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.61 94.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.317 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -79.51 95.44 5.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.424 0.631 . . . . 0.0 109.838 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.9 ptp -99.97 -20.85 15.89 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.01 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.7 t -77.78 112.25 14.43 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pp -102.8 139.21 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-O 121.188 0.518 . . . . 0.0 111.994 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -145.03 103.0 3.83 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.47 111.68 5.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.799 0.333 . . . . 0.0 111.895 -175.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -83.92 37.16 0.62 Allowed 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 123.632 2.888 . . . . 0.0 111.675 172.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HG2' ' HG1' ' A' ' 21' ' ' THR . 42.7 tt0 -88.39 150.88 22.95 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.158 -1.383 . . . . 0.0 110.9 -175.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.464 ' HG1' ' HG2' ' A' ' 20' ' ' GLU . 24.3 m 69.44 128.89 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 124.127 0.892 . . . . 0.0 112.4 177.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 t -110.78 119.8 60.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.778 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.81 127.48 43.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.905 0.383 . . . . 0.0 110.554 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.449 ' HB ' HG23 ' A' ' 26' ' ' THR . 29.0 m -134.5 152.47 33.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -113.27 18.5 17.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.449 HG23 ' HB ' ' A' ' 24' ' ' VAL . 5.2 t -117.55 155.12 30.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.044 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -96.25 -9.19 30.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.342 . . . . 0.0 111.6 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -126.0 121.91 34.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.799 0.333 . . . . 0.0 110.173 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.8 m -119.24 133.25 66.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.197 0.522 . . . . 0.0 111.52 -176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.55 110.8 21.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.503 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -89.86 141.2 28.87 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 -177.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -127.55 19.73 6.74 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.854 -169.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.85 -133.92 12.12 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.339 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.18 -108.85 2.27 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.519 -0.633 . . . . 0.0 111.519 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.707 ' HB2' HD12 ' A' ' 38' ' ' LEU . 41.6 mt-10 -87.04 -177.74 6.11 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 114.955 -0.623 . . . . 0.0 109.627 174.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.38 115.45 7.08 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.878 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 73.26 6.41 5.18 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.777 0.831 . . . . 0.0 111.969 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.707 HD12 ' HB2' ' A' ' 35' ' ' GLU . 96.9 mt -111.58 89.27 3.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.552 0.215 . . . . 0.0 110.494 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.51 -144.74 12.42 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.044 -1.074 . . . . 0.0 112.614 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.672 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 33.7 p80 -97.64 161.92 24.2 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.598 -0.301 . . . . 0.0 110.927 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.3 156.67 44.54 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.506 2.137 . . . . 0.0 110.954 172.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.98 121.94 15.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.807 0.337 . . . . 0.0 111.607 -172.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -123.22 157.44 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -110.01 120.28 41.96 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.798 0.332 . . . . 0.0 110.386 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -109.34 162.79 13.99 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.413 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.2 m -126.08 131.87 52.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.722 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 55.0 mt -90.94 129.29 44.64 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.282 -174.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.546 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 38.5 Cg_exo -57.6 129.44 33.76 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.929 2.419 . . . . 0.0 111.645 174.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -78.95 -21.5 47.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.634 -170.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.79 -24.29 22.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.026 -176.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.546 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 18.4 p -97.54 -45.0 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.62 17.94 46.88 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.741 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' HB3' HG13 ' A' ' 64' ' ' ILE . 27.7 p90 -154.42 151.81 29.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.486 HG12 ' HB2' ' A' ' 63' ' ' TYR . 14.1 p -125.52 141.68 44.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.875 0.369 . . . . 0.0 110.772 -176.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -97.05 147.37 24.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.924 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.0 t -116.2 119.82 36.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.738 0.304 . . . . 0.0 110.522 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.84 -3.1 71.12 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.576 175.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.4 -47.86 10.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.459 -0.37 . . . . 0.0 110.676 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.672 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 69.7 m -143.81 179.42 7.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.951 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -78.12 11.6 2.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -173.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -78.52 154.51 30.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.017 0.437 . . . . 0.0 111.156 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -149.03 127.85 12.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.486 ' HB2' HG12 ' A' ' 54' ' ' VAL . 52.2 m-85 -107.62 138.11 44.43 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -174.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.405 HG13 ' HB3' ' A' ' 53' ' ' PHE . 15.9 tt -134.18 148.37 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.87 0.367 . . . . 0.0 111.06 -177.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -72.9 146.44 46.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.949 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 67' ' ' SER . 4.1 pt-20 -45.43 -43.82 11.66 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.777 0.831 . . . . 0.0 113.183 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 23.1 t -69.73 -28.69 66.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.981 0.42 . . . . 0.0 111.603 -172.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -89.19 -14.61 35.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.983 0.42 . . . . 0.0 110.509 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -97.19 29.4 3.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.15 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.45 33.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.612 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.94 -26.62 54.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.282 0.563 . . . . 0.0 110.672 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -106.36 -173.8 2.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.846 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.6 141.89 48.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.858 0.361 . . . . 0.0 110.212 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -108.48 179.82 4.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.326 0.584 . . . . 0.0 111.712 -174.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -150.34 37.29 0.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -92.36 4.58 53.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.143 -173.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -74.64 99.71 3.74 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -167.84 -39.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.335 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -133.48 148.87 51.73 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 169.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.938 -174.588 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.688 0.28 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -69.34 117.4 10.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.22 0.534 . . . . 0.0 111.367 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -165.75 119.53 1.18 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 57.13 70.1 1.47 Allowed Pre-proline 0 CA--C 1.534 0.345 0 O-C-N 123.739 0.65 . . . . 0.0 110.264 -175.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.74 80.44 2.59 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.913 2.408 . . . . 0.0 112.689 -175.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -126.69 121.57 32.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.262 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 p -83.79 124.59 31.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.055 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -54.96 -64.92 0.68 Allowed 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.443 0.465 . . . . 0.0 110.474 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -141.31 129.39 22.05 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.18 131.9 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.6 m -77.22 85.5 3.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.21 -169.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.05 100.3 12.53 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -70.26 124.52 24.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.553 0.692 . . . . 0.0 112.68 -171.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.4 tpt -92.97 162.19 14.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.421 171.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.9 m -63.92 88.82 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.04 0.448 . . . . 0.0 111.097 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.9 mt -134.98 167.64 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -93.03 139.62 30.34 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -74.62 139.48 74.37 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.589 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 17.1 Cg_exo -68.62 176.07 6.33 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.082 2.521 . . . . 0.0 112.811 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.447 ' H ' ' HG3' ' A' ' 35' ' ' GLU . 10.4 tp10 -64.86 120.9 13.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.685 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -79.91 120.64 24.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.849 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.13 129.01 61.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.908 0.385 . . . . 0.0 110.95 -175.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 57.2 t -102.84 124.93 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.721 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 m -118.29 147.95 21.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.237 0.542 . . . . 0.0 112.022 -174.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.0 m -100.86 -21.83 15.0 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.082 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -89.8 157.41 17.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.038 -175.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -86.56 -12.82 47.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 0.0 110.94 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -121.04 143.03 49.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.599 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.43 HG12 ' CE2' ' A' ' 63' ' ' TYR . 3.0 t -133.89 159.22 42.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.13 114.03 20.32 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 42.0 t -98.71 130.04 45.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' OD1' ' HB2' ' A' ' 42' ' ' ARG . 7.9 t70 -117.21 20.27 13.78 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.528 0.68 . . . . 0.0 110.24 -174.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' HA2' ' CD2' ' A' ' 40' ' ' HIS . . . 136.2 -156.72 23.13 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.562 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.52 -161.06 8.65 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.57 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HG3' ' H ' ' A' ' 20' ' ' GLU . 25.0 mm-40 -101.09 148.46 25.04 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.45 -114.4 5.68 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.513 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.2 -16.31 40.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.71 130.54 41.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.769 0.318 . . . . 0.0 110.652 -177.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.49 145.52 10.05 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.191 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.539 ' CD2' ' HG ' ' A' ' 59' ' ' CYS . 34.8 p80 -169.67 163.76 6.74 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.05 153.25 65.58 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.036 2.49 . . . . 0.0 111.723 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.483 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 26.9 ttm180 -63.43 122.37 16.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.134 0.492 . . . . 0.0 111.597 -175.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 44' ' ' TRP . 13.1 p -116.53 163.08 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.41 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.409 ' N ' HG21 ' A' ' 43' ' ' VAL . 94.1 m95 -106.81 111.15 23.54 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.93 -177.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -106.88 171.34 7.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.168 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.6 t -143.41 148.44 36.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.394 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.6 mm -87.5 116.14 65.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.403 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.21 126.73 18.46 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.503 2.136 . . . . 0.0 111.511 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -76.93 -16.78 59.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.499 0.666 . . . . 0.0 109.934 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -80.21 -13.53 59.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.397 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 p -125.81 -53.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.648 0.261 . . . . 0.0 111.512 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.73 9.19 35.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.609 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -158.02 156.78 31.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.473 HG11 ' HB2' ' A' ' 63' ' ' TYR . 7.9 p -138.92 146.72 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.016 0.436 . . . . 0.0 110.997 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -118.3 126.06 51.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 36.3 t -64.31 121.66 14.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.922 0.391 . . . . 0.0 111.711 -174.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.84 -5.54 68.33 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.887 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -80.99 -41.72 22.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.539 ' HG ' ' CD2' ' A' ' 40' ' ' HIS . 6.0 p -133.42 -97.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.495 171.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 179.39 91.92 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.455 0.645 . . . . 0.0 110.388 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 61' ' ' ARG . 38.2 ttm180 -137.2 152.79 50.28 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 169.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttm105 -115.72 117.76 31.16 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.53 -172.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.473 ' HB2' HG11 ' A' ' 54' ' ' VAL . 87.1 m-85 -107.31 125.55 51.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.484 -178.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 34.3 mm -116.03 139.99 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.696 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -78.75 142.72 36.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.915 0.388 . . . . 0.0 110.482 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.92 -31.93 60.71 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 t -66.63 -18.25 65.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.744 0.307 . . . . 0.0 111.183 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.89 -13.8 22.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.09 0.471 . . . . 0.0 110.775 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.44 -37.66 13.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.248 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.16 -81.58 0.15 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.829 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 66.59 -63.17 0.26 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.05 0.844 . . . . 0.0 112.791 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -77.08 -51.5 10.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.713 0.292 . . . . 0.0 110.979 -176.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.433 ' N ' HD13 ' A' ' 73' ' ' LEU . 5.2 mp -83.76 133.57 34.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.983 -177.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 51.93 91.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.428 1.08 . . . . 0.0 111.474 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -66.76 91.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.163 0.506 . . . . 0.0 110.569 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -63.38 98.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.754 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -136.79 -65.93 0.54 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.202 -172.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.23 93.2 0.05 Allowed 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.599 0.562 . . . . 0.0 111.235 -177.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -86.8 133.39 33.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.349 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.4 t60 . . . . . 0 C--N 1.317 -0.808 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.158 174.706 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.516 0.198 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.499 ' HG2' ' HG2' ' A' ' 4' ' ' GLN . 42.7 ttm180 -64.28 115.0 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 174.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -86.66 74.9 9.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.637 -173.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.499 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 4.0 pt20 -169.4 123.86 0.7 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.018 0.437 . . . . 0.0 110.551 173.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 4' ' ' GLN . 4.0 Cg_exo -81.79 45.53 1.98 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.483 2.788 . . . . 0.0 112.132 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -87.54 98.45 11.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.049 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.1 m -127.48 137.1 52.58 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.419 -177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -145.88 111.55 5.52 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -92.49 30.08 1.58 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.951 -173.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -117.06 21.85 12.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.406 0.622 . . . . 0.0 110.299 176.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.4 m -99.22 110.85 23.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.535 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.27 96.94 3.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.857 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 14' ' ' MET . 24.2 ttm180 -137.37 166.59 23.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 65.5 mtt 76.81 166.76 0.25 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.899 0.749 . . . . 0.0 111.763 176.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.7 m -151.55 114.27 4.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.341 175.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 pp -119.38 150.44 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.476 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -112.06 76.8 1.0 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.283 0.563 . . . . 0.0 109.843 174.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.72 83.84 1.35 Allowed Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.584 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.52 109.61 2.8 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.887 1.725 . . . . 0.0 111.152 175.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 22.4 mm-40 -73.84 91.55 1.97 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.503 0.668 . . . . 0.0 111.794 -175.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -112.81 123.8 51.13 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.272 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.9 t -120.39 128.94 76.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.612 -174.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 43.1 t -95.96 119.97 44.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 m -125.07 151.71 30.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 111.634 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 m -90.25 -13.71 34.85 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.123 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.9 p -101.31 143.63 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.234 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -78.68 -31.37 46.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.014 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -100.8 124.23 46.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.862 0.363 . . . . 0.0 110.595 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -123.6 148.05 27.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.603 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.41 109.74 20.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.848 177.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.439 ' HG ' ' CE1' ' A' ' 40' ' ' HIS . 48.0 t -92.81 149.93 20.95 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -161.03 75.05 0.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.17 129.9 6.8 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.656 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.566 ' HA3' ' SG ' ' A' ' 59' ' ' CYS . . . -115.76 -174.34 17.75 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 176.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -78.78 174.15 11.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.132 0.491 . . . . 0.0 111.43 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.04 -115.8 4.41 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.513 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -126.55 13.53 7.55 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.995 0.426 . . . . 0.0 110.39 176.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.5 mt -90.61 71.04 6.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.7 -175.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.68 139.1 14.48 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 173.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.439 ' CE1' ' HG ' ' A' ' 31' ' ' CYS . 33.0 p80 -151.1 157.22 35.37 Favored Pre-proline 0 C--N 1.316 -0.873 0 CA-C-N 116.649 0.225 . . . . 0.0 110.53 -175.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.62 168.59 19.52 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.795 2.33 . . . . 0.0 112.364 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -55.06 121.18 8.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.689 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 44' ' ' TRP . 11.0 p -120.48 153.45 23.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.431 0.634 . . . . 0.0 109.918 174.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.423 ' N ' HG22 ' A' ' 43' ' ' VAL . 98.0 m95 -111.48 115.2 28.82 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.623 -175.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.9 mt -112.04 159.34 18.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.406 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.1 t -135.73 115.05 12.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.466 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.601 HG12 HG11 ' A' ' 54' ' ' VAL . 66.2 mt -65.86 124.01 86.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.148 -177.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.51 127.63 21.34 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.813 2.342 . . . . 0.0 111.491 176.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -70.78 -24.6 62.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.366 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.44 -19.99 51.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.377 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.9 p -102.31 -48.47 4.18 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.915 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.45 2.37 60.28 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -176.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.471 ' HB2' HD11 ' A' ' 64' ' ' ILE . 50.1 p90 -155.34 156.1 34.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.601 HG11 HG12 ' A' ' 47' ' ' ILE . 12.5 p -137.57 140.22 41.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.007 0.432 . . . . 0.0 110.414 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.45 129.79 54.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.605 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 38.2 t -71.28 151.22 44.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -176.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.5 -19.79 31.41 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.893 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -80.05 -30.38 39.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.566 ' SG ' ' HA3' ' A' ' 34' ' ' GLY . 47.6 t -157.17 169.59 24.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.416 -0.586 . . . . 0.0 109.416 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.6 33.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.157 0.503 . . . . 0.0 111.653 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.448 ' H ' ' C ' ' A' ' 59' ' ' CYS . 10.3 mmt85 -73.04 123.46 23.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.476 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -115.14 113.03 23.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.766 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -100.6 120.84 40.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.023 0.44 . . . . 0.0 110.603 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.471 HD11 ' HB2' ' A' ' 53' ' ' PHE . 25.6 mm -109.23 125.62 66.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.453 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -76.4 136.56 39.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -59.98 -17.35 37.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -173.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.4 p -70.18 -38.33 75.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.258 0.551 . . . . 0.0 110.084 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -79.79 -20.94 45.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.77 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -92.98 1.32 57.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.132 -176.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.18 26.74 3.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.688 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.77 105.78 1.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.3 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -82.62 -35.11 27.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.148 -176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.1 mt -68.93 139.9 55.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.641 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -156.04 167.61 29.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.393 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.4 m170 70.08 5.51 5.32 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.786 0.679 . . . . 0.0 111.934 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -76.06 82.6 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.085 0.469 . . . . 0.0 110.525 -177.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -153.61 -28.41 0.13 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.709 175.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -88.16 -156.67 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 172.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -66.7 -36.44 82.49 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 166.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-N 114.509 -1.223 . . . . 0.0 108.969 170.358 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 71.56 -48.03 0.67 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.628 0.771 . . . . 0.0 111.31 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -102.18 103.24 13.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.134 0.492 . . . . 0.0 111.254 178.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.9 161.88 55.14 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.134 174.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.23 108.06 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.297 1.998 . . . . 0.0 110.836 170.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -116.04 119.96 37.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.536 -171.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 t -159.81 112.94 2.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.151 0.5 . . . . 0.0 111.45 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 65.73 -166.9 0.22 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.559 173.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -132.73 138.84 47.36 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.771 -174.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -107.03 108.64 20.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.86 0.362 . . . . 0.0 110.141 172.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.8 t -159.97 110.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.743 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.86 45.68 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.853 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 70.91 142.78 0.05 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.76 -175.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.3 mtt -78.49 64.18 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.025 0.44 . . . . 0.0 110.91 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -137.27 97.69 3.54 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.44 HD13 ' H ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -120.01 150.54 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.956 -177.641 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -141.09 38.87 1.77 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.807 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.11 148.62 92.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.656 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.84 151.56 80.19 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.391 2.061 . . . . 0.0 111.887 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.77 126.27 26.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.136 0.493 . . . . 0.0 110.842 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -83.4 146.67 28.32 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.403 -174.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.458 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 47.4 t -106.89 139.29 28.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.878 177.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.0 t -88.22 125.41 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.392 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.1 m -111.89 143.07 22.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.281 0.562 . . . . 0.0 111.314 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 m -96.97 17.46 16.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.257 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.4 m -147.2 142.01 26.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.416 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -64.07 -34.65 78.5 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.73 0.3 . . . . 0.0 111.196 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -102.14 134.55 45.21 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.34 153.98 33.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.601 -175.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 43' ' ' VAL . . . -109.65 100.53 9.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.46 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.9 t -88.83 151.75 22.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.676 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -159.06 72.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.41 0.624 . . . . 0.0 109.805 -174.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.09 -146.96 18.43 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.436 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.33 -167.59 40.33 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.312 -0.471 . . . . 0.0 112.106 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -78.33 161.43 27.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.992 0.425 . . . . 0.0 111.055 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.85 -135.21 15.74 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.471 176.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.78 13.79 33.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.939 0.399 . . . . 0.0 110.853 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' A' ' 59' ' ' CYS . 0.6 OUTLIER -91.61 120.42 32.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.906 -177.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -146.05 135.49 5.89 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.374 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -149.93 153.81 36.3 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.94 161.24 43.34 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.904 2.403 . . . . 0.0 112.485 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -51.0 120.22 4.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.086 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 44' ' ' TRP . 11.3 p -122.86 163.7 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.297 0.57 . . . . 0.0 110.244 176.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.461 ' N ' HG21 ' A' ' 43' ' ' VAL . 96.0 m95 -113.68 115.62 28.14 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.444 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.9 mt -112.68 164.09 13.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -140.13 128.15 22.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.321 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 68.4 mt -85.23 126.47 67.25 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.115 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.86 143.91 57.02 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.884 2.389 . . . . 0.0 112.182 176.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -70.36 -35.72 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.642 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -71.42 -22.24 61.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.637 -175.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.0 p -96.67 -57.53 2.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 111.133 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.55 -8.59 66.43 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.46 ' HB3' HG12 ' A' ' 64' ' ' ILE . 47.5 p90 -142.56 164.91 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.53 137.87 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.155 0.503 . . . . 0.0 111.337 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.85 120.39 34.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.057 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.3 t -67.35 102.71 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.849 0.356 . . . . 0.0 110.5 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.99 44.69 3.05 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -152.89 -49.26 0.1 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.492 ' HA ' HD11 ' A' ' 38' ' ' LEU . 36.6 t -94.93 -89.19 0.24 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.109 177.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 59' ' ' CYS . 38.7 t70 172.49 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -51.9 144.63 11.23 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.451 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -104.62 142.16 35.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.458 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 91.4 m-85 -125.18 144.16 50.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.736 0.303 . . . . 0.0 110.646 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.46 HG12 ' HB3' ' A' ' 53' ' ' PHE . 70.5 mt -129.56 136.89 58.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.351 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -71.02 145.69 49.81 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 110.248 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -52.4 -33.34 43.1 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -176.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.1 t -64.8 -36.31 83.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.152 0.501 . . . . 0.0 110.544 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -81.96 -14.83 55.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.177 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.29 -39.19 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.578 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.36 -36.54 68.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.719 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 65.95 102.96 0.04 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.655 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -108.77 136.31 48.56 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.964 172.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt -73.15 135.97 44.74 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.819 0.342 . . . . 0.0 110.266 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -83.59 147.23 27.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.661 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -168.54 141.73 3.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.8 168.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -72.05 108.42 5.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.94 -172.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -78.86 87.94 4.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.099 0.476 . . . . 0.0 110.035 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.465 ' C ' ' H ' ' A' ' 80' ' ' HIS . 30.4 t-80 -169.03 140.84 2.53 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -77.05 37.16 0.19 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.261 0.553 . . . . 0.0 110.917 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.465 ' H ' ' C ' ' A' ' 78' ' ' HIS . 54.4 t-80 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.728 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptp . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.425 ' HB3' ' H ' ' A' ' 3' ' ' ARG . 35.9 mtm180 62.12 -163.8 0.26 Allowed 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.423 0.452 . . . . 0.0 110.988 -174.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.425 ' H ' ' HB3' ' A' ' 2' ' ' ARG . 3.9 ptp180 -126.3 150.08 48.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.025 -177.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -139.65 92.09 10.34 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.199 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -82.03 159.35 18.18 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.474 2.116 . . . . 0.0 111.765 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -86.29 95.24 9.56 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 p -85.58 85.83 7.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.72 -174.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -99.54 93.11 5.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 172.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.9 137.93 58.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.371 -173.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -76.87 87.12 3.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.448 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.8 t -90.29 -160.84 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.97 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.19 134.75 55.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.634 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -83.99 -41.85 16.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.091 -174.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.9 ttp -165.21 97.81 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.69 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 m -85.57 137.53 32.8 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.017 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.91 161.16 15.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 174.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 60.98 88.36 0.08 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.565 0.541 . . . . 0.0 110.101 -172.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.25 77.09 0.29 Allowed Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.291 -173.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -84.42 -172.76 1.34 Allowed 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.988 2.459 . . . . 0.0 113.086 -175.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.781 ' HB2' ' HB3' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -116.99 18.46 14.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 122.17 0.986 . . . . 0.0 109.373 179.038 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -87.87 46.04 1.34 Allowed 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.175 -1.375 . . . . 0.0 111.003 -171.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.5 t -90.85 98.89 8.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.087 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 47.7 t -79.61 127.11 39.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.111 -174.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.4 m -117.11 148.22 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.739 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 t -101.06 -11.87 19.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.391 0.615 . . . . 0.0 109.63 178.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.21 153.32 23.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.914 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.485 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 94.5 m95 -91.53 -26.96 18.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.338 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -95.62 102.31 14.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 30' ' ' ALA . 4.8 t -108.13 163.07 5.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.956 -172.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.403 ' N ' HG12 ' A' ' 29' ' ' VAL . . . -112.01 129.27 56.25 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.27 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 21.9 t -96.48 147.25 24.04 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -160.54 71.52 0.44 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.518 0.675 . . . . 0.0 110.409 -172.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.62 -135.9 13.48 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.936 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.37 -139.51 5.29 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 121.197 -0.525 . . . . 0.0 111.836 -177.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -98.11 153.37 18.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.014 0.435 . . . . 0.0 111.258 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.86 -125.33 30.29 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.844 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.4 16.57 24.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.855 0.359 . . . . 0.0 111.373 -176.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.14 105.24 17.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.254 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.58 150.2 21.73 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.525 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.415 ' CE1' ' HG ' ' A' ' 31' ' ' CYS . 35.0 p80 -160.37 154.29 19.38 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.67 154.25 50.21 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.565 2.177 . . . . 0.0 112.154 177.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 5.2 tmm_? -57.87 131.7 51.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.249 -176.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -130.24 160.91 40.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.03 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -97.63 133.84 41.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.858 0.361 . . . . 0.0 111.414 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -120.92 171.63 8.5 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.143 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.6 t -139.09 126.34 21.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.962 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.69 HG12 ' HB ' ' A' ' 54' ' ' VAL . 56.4 mt -84.74 125.1 71.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.738 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.81 132.72 36.03 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 122.883 2.388 . . . . 0.0 110.935 173.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.485 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 24.5 m-70 -81.42 -13.72 57.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -165.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -91.81 -27.87 17.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 110.757 -177.708 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.401 ' HB ' ' CE2' ' A' ' 53' ' ' PHE . 2.3 p -91.68 -44.45 9.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.467 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.11 3.06 63.85 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.168 176.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.401 ' CE2' ' HB ' ' A' ' 51' ' ' THR . 52.7 p90 -138.2 154.43 49.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.69 ' HB ' HG12 ' A' ' 47' ' ' ILE . 7.3 p -116.37 124.32 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.0 110.821 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -92.41 114.06 26.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.03 176.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.4 t -69.01 145.23 53.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.572 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.05 19.2 23.16 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 176.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -129.19 -22.37 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.716 -0.242 . . . . 0.0 111.123 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.6 t -162.1 175.17 12.02 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.426 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -87.17 45.04 1.23 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.928 0.87 . . . . 0.0 109.924 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.668 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 3.9 mmp_? -106.1 115.53 30.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.726 176.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.781 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 42.1 ttm180 -114.83 130.46 56.88 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.094 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -115.62 140.5 49.12 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 42.6 mm -116.36 127.73 73.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.036 -176.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -68.55 145.49 53.94 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -53.02 -32.65 47.81 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.9 t -70.99 -32.74 69.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 -178.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.433 ' HD2' HG22 ' A' ' 64' ' ' ILE . 55.5 t80 -88.93 -17.15 30.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.404 0.621 . . . . 0.0 109.771 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.94 -48.45 30.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.635 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.53 39.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.205 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.16 -80.87 0.45 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.353 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -90.97 -54.83 3.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.264 -173.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.7 mt -100.9 167.57 10.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.487 0.184 . . . . 0.0 110.677 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 75' ' ' HIS . 36.8 mm-40 -102.4 -56.03 2.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 54.5 m80 65.52 14.45 9.49 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.584 0.707 . . . . 0.0 109.425 -168.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -110.72 139.99 45.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.256 -175.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -62.7 145.53 54.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.022 0.439 . . . . 0.0 111.236 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -123.86 124.82 43.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.004 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -106.07 127.87 53.47 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.862 -0.59 . . . . 0.0 110.376 179.736 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 tpp . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -117.58 159.92 22.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.17 101.7 9.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.997 0.427 . . . . 0.0 110.334 176.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -75.69 134.48 72.37 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.032 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.53 129.58 30.12 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.931 2.421 . . . . 0.0 111.95 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.819 ' HE2' ' HA ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -79.81 91.04 5.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.066 0.46 . . . . 0.0 110.126 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.1 p -69.38 139.88 54.18 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.861 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.481 ' HD2' ' O ' ' A' ' 8' ' ' ARG . 1.6 ppt_? -140.83 101.1 3.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.323 0.582 . . . . 0.0 111.001 177.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -134.19 -158.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.437 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 71.67 27.13 2.98 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.746 0.654 . . . . 0.0 111.177 174.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.7 t -119.48 105.75 11.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.426 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.15 140.9 17.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.129 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' HB3' HD13 ' A' ' 16' ' ' ILE . 6.7 mpt_? -109.77 110.47 21.48 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 174.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -86.46 128.14 34.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.003 -174.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 m 61.99 93.46 0.05 OUTLIER 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.046 -0.979 . . . . 0.0 113.248 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.419 HD13 ' HB3' ' A' ' 13' ' ' ARG . 3.1 mt -125.7 164.33 25.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 173.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -96.55 110.08 22.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.983 0.421 . . . . 0.0 110.199 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.75 118.42 67.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.743 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.94 121.43 8.62 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.887 2.391 . . . . 0.0 111.933 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.9 148.85 34.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.544 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -97.96 140.55 32.14 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 120.762 0.315 . . . . 0.0 110.399 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.402 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 56.6 t -130.5 125.17 58.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 110.804 -175.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.1 t -92.05 131.92 37.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.984 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.429 HG22 HD11 ' A' ' 47' ' ' ILE . 15.4 m -117.41 146.03 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.439 0.637 . . . . 0.0 111.458 -177.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.8 t -105.49 -0.58 25.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.914 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.7 p -108.85 131.37 55.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.538 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -66.02 -22.99 66.48 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-O 121.061 0.458 . . . . 0.0 110.532 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -108.01 124.41 50.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.499 HG22 HG13 ' A' ' 54' ' ' VAL . 13.7 m -111.02 127.07 68.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.04 0.448 . . . . 0.0 110.94 -175.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.431 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . . . -94.57 99.99 12.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.63 177.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.8 t -86.69 127.0 34.93 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.383 0.611 . . . . 0.0 109.973 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -120.82 5.01 10.5 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.163 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.584 ' HA3' ' CA ' ' A' ' 39' ' ' GLY . . . 91.53 -58.43 3.02 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.485 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.47 -129.44 1.81 Allowed Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -77.71 177.48 8.09 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.45 125.76 39.03 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.991 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 67.88 9.72 7.32 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.159 0.584 . . . . 0.0 111.654 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.77 34.45 5.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.584 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -160.92 -145.82 4.42 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.999 -177.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 59' ' ' CYS . 23.7 p80 -148.34 170.41 7.71 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -175.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 72.1 Cg_exo -50.64 134.06 39.53 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.222 1.948 . . . . 0.0 110.926 171.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.431 ' HD2' ' HB2' ' A' ' 30' ' ' ALA . 49.4 ttp180 -65.15 129.5 39.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.143 0.497 . . . . 0.0 111.493 -171.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.9 t -119.98 150.35 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.449 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -109.5 108.44 18.92 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.916 0.388 . . . . 0.0 110.708 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.445 ' HB2' HG23 ' A' ' 29' ' ' VAL . 71.8 mt -106.68 170.25 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.61 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.6 t -132.85 140.9 48.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.953 0.406 . . . . 0.0 110.245 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.429 HD11 HG22 ' A' ' 24' ' ' VAL . 64.3 mt -82.46 128.25 67.66 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.98 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.585 ' HB2' ' HG1' ' A' ' 51' ' ' THR . 25.6 Cg_exo -62.58 142.99 92.01 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.521 2.148 . . . . 0.0 110.664 174.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -90.37 -0.59 57.71 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 -164.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.407 ' OE1' ' HB2' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -108.19 -28.85 9.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.31 0.576 . . . . 0.0 110.337 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.585 ' HG1' ' HB2' ' A' ' 48' ' ' PRO . 6.7 p -86.37 -52.44 5.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.093 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.44 11.9 60.36 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.811 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -146.45 154.28 41.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.546 -0.384 . . . . 0.0 110.692 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.499 HG13 HG22 ' A' ' 29' ' ' VAL . 7.2 p -129.7 130.56 66.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.394 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -106.57 92.68 4.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.109 0.481 . . . . 0.0 110.276 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 15.2 m -67.07 106.8 2.07 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.426 178.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.72 -4.1 90.3 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.787 -0.721 . . . . 0.0 113.138 -175.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.33 -40.81 77.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.052 0.453 . . . . 0.0 110.636 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.566 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 11.6 t -124.21 -9.19 7.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.539 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 73.73 69.95 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.138 -174.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.466 ' HB2' ' HB2' ' A' ' 56' ' ' CYS . 40.3 mmt180 -125.59 120.13 29.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.581 -178.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -105.46 105.07 14.94 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.402 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 23.6 m-85 -101.19 134.1 44.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.41 -178.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.455 HG23 ' HD2' ' A' ' 68' ' ' PHE . 50.8 mm -101.33 126.41 55.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.563 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -71.47 146.63 48.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.632 ' HB2' HD23 ' A' ' 73' ' ' LEU . 16.9 pt-20 -52.51 -38.04 58.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.165 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.3 t -70.1 -31.76 69.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.873 0.368 . . . . 0.0 110.67 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.455 ' HD2' HG23 ' A' ' 64' ' ' ILE . 34.2 t80 -82.39 -17.8 44.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.009 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.23 -35.55 28.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.608 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 64.71 21.86 12.47 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.819 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.41 -175.1 4.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.528 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -68.45 119.79 13.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.197 0.522 . . . . 0.0 110.778 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.632 HD23 ' HB2' ' A' ' 66' ' ' GLU . 27.5 mt -99.83 130.92 46.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -49.65 6.35 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.707 -177.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 37.6 m170 49.7 54.68 10.6 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.346 0.593 . . . . 0.0 109.917 -177.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -69.77 148.5 49.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.84 -172.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 77.31 -168.89 0.06 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.076 0.86 . . . . 0.0 110.368 177.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -134.23 162.81 31.14 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -87.76 153.28 21.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.218 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.701 -0.666 . . . . 0.0 109.499 174.141 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.055 0.455 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -163.77 105.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.833 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -98.76 126.62 44.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.971 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -104.0 109.88 63.1 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.707 -178.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.68 99.44 0.85 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.581 2.187 . . . . 0.0 110.805 174.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -87.89 108.64 19.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.259 -174.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -87.23 93.03 9.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.889 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -91.17 -22.29 20.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.999 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 0.3 OUTLIER -115.03 96.06 5.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.674 -178.51 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -87.75 114.75 24.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.5 t -159.93 143.42 14.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.015 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.87 124.38 30.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.126 0.266 . . . . 0.0 110.332 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -104.02 109.97 21.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.866 0.365 . . . . 0.0 110.103 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.4 ttt -126.7 75.98 1.6 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.22 0.533 . . . . 0.0 109.852 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.4 t -86.94 95.65 9.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.519 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 mt -140.57 158.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.866 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -161.73 84.78 0.61 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.46 98.99 8.82 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.351 -173.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -77.68 147.39 24.78 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 122.493 2.128 . . . . 0.0 110.573 173.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.31 96.24 0.34 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.595 HG22 HG12 ' A' ' 64' ' ' ILE . 9.7 m -104.99 149.84 25.43 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.272 -173.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.3 t -84.84 121.15 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 120.861 0.362 . . . . 0.0 110.437 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.49 125.08 42.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.921 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.9 m -123.71 156.11 30.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 121.282 0.563 . . . . 0.0 111.293 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 t -115.17 -3.92 12.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.182 176.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -94.84 134.0 37.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.446 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.509 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 99.0 m95 -78.69 -31.25 46.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 19.2 ptpt -99.17 106.65 18.85 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 170.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.64 151.92 4.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.102 0.477 . . . . 0.0 110.613 -173.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.38 103.25 9.95 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.252 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.529 ' HG ' ' CE1' ' A' ' 40' ' ' HIS . 36.3 t -83.9 124.84 31.41 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.18 -20.82 12.54 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.259 -169.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.73 -86.35 1.06 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.815 -175.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.14 -140.04 2.83 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -76.68 -179.55 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.003 0.43 . . . . 0.0 111.233 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.83 131.96 51.98 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.634 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 76.19 -28.64 0.18 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.678 0.791 . . . . 0.0 111.873 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.26 -28.06 29.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.228 0.537 . . . . 0.0 110.106 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -103.75 154.55 17.85 Favored Glycine 0 N--CA 1.441 -0.991 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.469 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.529 ' CE1' ' HG ' ' A' ' 31' ' ' CYS . 16.2 p80 -83.28 169.61 16.99 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 53.1 Cg_exo -53.53 143.55 55.45 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.248 1.966 . . . . 0.0 111.194 172.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -64.44 115.09 4.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.568 0.223 . . . . 0.0 110.723 -174.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.4 t -109.13 156.07 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -109.95 129.59 55.64 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.153 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -112.29 159.9 18.18 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.916 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.5 t -125.2 112.58 16.6 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.815 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 51.9 mt -84.53 124.13 73.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.438 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.566 ' HB2' ' HG1' ' A' ' 51' ' ' THR . 23.5 Cg_exo -64.81 136.06 47.46 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.76 2.307 . . . . 0.0 111.353 176.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.509 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 20.4 m-70 -74.37 -16.04 60.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.26 -171.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.48 6.43 42.38 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.687 -178.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.566 ' HG1' ' HB2' ' A' ' 48' ' ' PRO . 8.7 p -122.14 -65.16 1.14 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.631 0.253 . . . . 0.0 110.644 175.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.09 23.03 23.66 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.856 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -152.9 153.71 33.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.778 -0.248 . . . . 0.0 110.416 178.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.79 145.18 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.958 0.409 . . . . 0.0 110.479 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.62 138.46 40.93 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.74 122.94 18.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.074 0.464 . . . . 0.0 110.854 -176.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.73 43.01 3.1 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.753 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -162.81 -49.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.1 t -108.29 166.55 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.913 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -80.26 -2.25 44.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.13 0.49 . . . . 0.0 111.282 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -80.79 153.21 27.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.372 0.606 . . . . 0.0 111.929 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -126.4 150.35 48.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.938 -173.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -126.71 132.39 51.15 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.992 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.595 HG12 HG22 ' A' ' 21' ' ' THR . 45.6 mm -125.21 130.04 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.859 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -69.58 145.53 52.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.38 -30.9 42.27 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.6 t -72.89 -23.09 60.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.709 0.29 . . . . 0.0 111.12 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -93.47 -12.38 29.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.097 0.475 . . . . 0.0 110.317 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.64 -8.87 51.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.979 -176.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.83 -26.76 66.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.026 0.441 . . . . 0.0 110.979 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.74 9.85 15.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 -177.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -90.09 -13.9 34.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.091 0.472 . . . . 0.0 110.154 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.6 mt -94.96 165.55 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.794 -176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -84.33 5.42 27.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.43 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -78.78 110.16 13.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.781 0.325 . . . . 0.0 111.622 -173.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -151.3 106.87 3.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.23 0.538 . . . . 0.0 109.673 172.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -140.41 131.26 25.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.249 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.426 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 52.3 m-70 -128.9 -174.05 3.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.948 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 78' ' ' HIS . 8.3 m-70 74.41 -0.05 3.45 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.06 0.544 . . . . 0.0 112.015 175.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.503 -0.761 . . . . 0.0 109.599 175.733 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.705 0.288 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.7 ttm105 -154.53 106.58 2.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.142 0.496 . . . . 0.0 111.302 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 3' ' ' ARG . 14.2 ttm180 -116.33 147.04 41.96 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 170.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.427 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 47.8 mt-30 -60.21 112.79 6.0 Favored Pre-proline 0 C--O 1.234 0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.765 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 4' ' ' GLN . 5.9 Cg_endo -85.7 155.01 10.29 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.189 2.593 . . . . 0.0 112.163 -176.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -95.99 2.5 53.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.956 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.1 m 61.61 30.58 18.67 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.599 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -125.04 84.95 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.987 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -103.24 2.49 34.36 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -77.65 141.05 39.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.218 -1.356 . . . . 0.0 109.259 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.9 t -75.11 85.86 2.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.753 0.311 . . . . 0.0 110.225 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 58.22 -157.67 0.3 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.56 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -100.56 169.13 9.27 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 174.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -76.17 137.66 40.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.716 0.294 . . . . 0.0 110.312 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.9 m -103.95 101.14 10.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.761 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.59 HD12 ' H ' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -97.05 158.04 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 175.255 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 57.58 -163.7 0.18 Allowed 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.451 0.469 . . . . 0.0 111.506 -177.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . . . -137.01 98.07 10.64 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.62 175.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 18' ' ' ALA . 9.5 Cg_endo -52.48 133.53 49.31 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.186 2.591 . . . . 0.0 111.93 -178.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -90.23 104.83 17.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.688 0.756 . . . . 0.0 111.061 -175.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -99.48 118.59 36.42 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.376 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -94.73 128.73 45.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.277 -173.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -85.34 124.93 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.03 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.2 m -123.9 157.74 30.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.896 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -108.87 -8.83 15.21 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.279 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 m -106.87 141.65 37.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.205 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -82.76 -47.02 12.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.999 0.428 . . . . 0.0 109.987 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -90.56 100.04 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.8 m -108.01 146.11 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.758 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.08 102.55 15.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.398 174.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.8 t -71.06 156.34 39.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.544 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -174.16 89.84 0.07 Allowed 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -166.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.561 ' HA3' ' HA3' ' A' ' 39' ' ' GLY . . . -38.3 -42.58 1.3 Allowed Glycine 0 N--CA 1.464 0.566 0 CA-C-N 114.276 -1.329 . . . . 0.0 115.694 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.92 -169.03 42.19 Favored Glycine 0 C--N 1.316 -0.545 0 C-N-CA 120.124 -1.036 . . . . 0.0 113.145 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -80.31 147.57 31.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.959 0.409 . . . . 0.0 110.877 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.73 -123.18 21.78 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.581 -0.736 . . . . 0.0 113.197 175.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.48 21.4 16.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.122 0.487 . . . . 0.0 111.039 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.8 mt -97.44 131.16 44.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.988 177.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.561 ' HA3' ' HA3' ' A' ' 33' ' ' GLY . . . 98.39 -128.01 9.42 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.282 178.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -147.74 163.0 29.56 Favored Pre-proline 0 C--N 1.313 -0.981 0 CA-C-N 115.022 -0.589 . . . . 0.0 110.081 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.53 158.17 13.56 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.792 2.328 . . . . 0.0 112.209 175.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -72.27 124.72 25.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.292 0.568 . . . . 0.0 111.331 -174.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.8 t -123.73 160.85 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.343 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -106.45 125.28 50.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.712 0.291 . . . . 0.0 110.718 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.5 mt -115.28 167.64 10.67 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.5 m -143.36 113.2 7.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.927 0.394 . . . . 0.0 110.377 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.44 HG12 ' CG1' ' A' ' 54' ' ' VAL . 49.2 mt -77.9 126.83 83.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.627 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -62.3 134.88 50.9 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.686 2.257 . . . . 0.0 111.689 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -75.8 -18.02 59.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.109 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -84.99 -17.85 36.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.312 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 p -99.81 -55.47 2.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.762 0.315 . . . . 0.0 111.108 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.45 -5.26 60.48 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 121.121 -0.562 . . . . 0.0 111.949 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -149.47 162.73 39.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.44 ' CG1' HG12 ' A' ' 47' ' ' ILE . 12.0 p -148.59 143.58 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.836 0.35 . . . . 0.0 110.479 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.74 132.88 42.97 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 48.5 t -76.95 135.05 38.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.836 0.35 . . . . 0.0 110.352 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.44 38.69 3.0 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.776 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -154.81 -56.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.8 t -99.43 166.89 10.96 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -91.78 -7.09 50.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.204 0.526 . . . . 0.0 110.628 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.59 125.61 25.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.95 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -100.65 139.91 35.67 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -111.27 131.58 55.03 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.725 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.662 HD12 ' HD2' ' A' ' 68' ' ' PHE . 14.3 tt -134.26 139.94 47.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.941 177.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -75.89 140.72 42.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -58.53 -29.72 66.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -174.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.8 p -69.68 -25.4 63.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 110.818 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.662 ' HD2' HD12 ' A' ' 64' ' ' ILE . 38.1 t80 -75.29 -22.81 57.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.042 0.449 . . . . 0.0 110.468 -176.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -104.01 5.11 35.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.06 10.41 38.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.097 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.69 106.73 18.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -156.37 149.05 23.77 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.6 mt -88.39 173.6 8.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.037 0.446 . . . . 0.0 111.398 -176.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -87.8 -73.87 0.47 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.476 0.655 . . . . 0.0 109.401 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -140.73 149.89 42.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.37 175.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -132.86 102.86 5.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.352 0.596 . . . . 0.0 111.475 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -104.1 142.93 33.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.607 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -140.85 3.63 1.85 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.227 0.536 . . . . 0.0 109.962 175.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -138.51 127.63 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.397 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.3 m80 . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.415 -0.802 . . . . 0.0 110.41 -179.435 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.67 100.88 8.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 0.0 110.654 176.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -159.61 118.16 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.432 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -151.3 101.91 2.96 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.241 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -90.61 152.95 4.27 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.036 2.49 . . . . 0.0 114.042 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 35.2 ttpt -115.13 9.96 16.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.966 174.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 p -80.25 85.73 5.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.608 -173.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -131.16 111.74 12.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.401 170.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -112.66 116.58 30.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.353 0.597 . . . . 0.0 110.879 -178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -89.57 26.79 1.63 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.679 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 t -140.36 115.93 10.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.298 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.82 -39.67 26.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.943 0.401 . . . . 0.0 110.913 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -102.52 91.94 4.45 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.202 0.525 . . . . 0.0 110.502 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.9 ttt -159.24 -40.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.095 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 t -112.79 140.27 47.71 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.827 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.416 HG22 ' H ' ' A' ' 17' ' ' GLU . 3.2 mt -109.68 175.33 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -177.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' H ' HG22 ' A' ' 16' ' ' ILE . 12.5 mm-40 -55.91 132.51 49.9 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 123.201 0.313 . . . . 0.0 110.299 176.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.95 120.29 18.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 O-C-N 123.64 0.588 . . . . 0.0 111.464 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -83.72 -179.89 4.42 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.69 2.26 . . . . 0.0 112.979 -177.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.549 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -99.29 20.0 14.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.754 0.787 . . . . 0.0 110.718 -178.627 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 m -108.3 133.18 52.87 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 114.062 -1.426 . . . . 0.0 110.235 -175.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.583 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 45.0 t -124.17 141.71 43.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.199 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.6 t -89.69 127.73 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.361 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.428 HG23 HD13 ' A' ' 47' ' ' ILE . 25.3 m -110.18 145.32 16.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.636 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.8 t -106.95 -8.69 16.52 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.381 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.5 p -119.74 153.55 35.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.172 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -79.25 -10.38 59.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.239 0.543 . . . . 0.0 111.279 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -134.78 130.08 35.57 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.42 178.67 5.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.327 0.584 . . . . 0.0 111.672 -169.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.11 118.81 26.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.19 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 42.4 t -83.62 133.34 34.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -116.61 3.29 13.11 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.155 -170.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.44 156.16 6.72 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.399 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -111.73 170.61 13.76 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.148 -0.548 . . . . 0.0 111.786 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.549 ' HG3' ' HB3' ' A' ' 20' ' ' GLU . 64.2 mm-40 -64.39 155.56 32.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.009 0.433 . . . . 0.0 111.316 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.5 -131.67 24.43 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.655 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.92 9.99 37.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.022 0.439 . . . . 0.0 110.746 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.5 mt -89.73 31.82 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.17 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.04 149.93 33.32 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.741 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.0 p80 -157.85 163.6 24.13 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -177.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.67 151.62 84.23 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.473 2.115 . . . . 0.0 111.23 172.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 21.9 ttm180 -59.56 125.01 21.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.005 0.431 . . . . 0.0 111.848 -174.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.3 t -120.46 157.95 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.501 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -100.21 128.55 46.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.387 0.275 . . . . 0.0 110.55 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -122.5 164.09 18.73 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.821 0.343 . . . . 0.0 111.001 -177.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.3 t -129.67 122.79 29.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.453 HG12 ' HB ' ' A' ' 54' ' ' VAL . 65.7 mt -75.35 123.03 88.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.278 -175.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.22 117.41 4.16 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.899 2.399 . . . . 0.0 111.937 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -75.12 -0.58 19.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.2 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.1 -37.51 78.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.232 0.539 . . . . 0.0 110.555 176.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.9 p -119.06 -42.15 2.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.575 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.39 6.7 44.2 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.246 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -124.59 147.59 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.555 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 6.8 p -113.22 116.84 53.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.552 0.692 . . . . 0.0 110.723 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -96.23 116.21 28.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.084 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 36.1 t -79.93 138.51 37.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.797 0.332 . . . . 0.0 110.825 -177.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -101.59 -6.2 50.48 Favored Glycine 0 N--CA 1.451 -0.32 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.89 -39.01 17.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.9 0.381 . . . . 0.0 110.881 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.7 p -148.55 -178.92 6.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.418 -175.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -84.01 42.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.289 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 20.6 mmt180 -100.95 130.51 46.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.298 -178.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -128.22 120.52 27.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.842 172.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.583 ' CD2' ' HB ' ' A' ' 22' ' ' VAL . 91.5 m-85 -110.58 134.1 52.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.973 0.416 . . . . 0.0 110.926 -176.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.7 mm -109.77 124.94 66.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.559 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -72.49 138.23 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -53.9 -30.5 46.39 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 123.413 0.446 . . . . 0.0 112.182 -177.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.9 t -69.73 -25.79 64.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.372 . . . . 0.0 110.795 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -104.35 -3.43 24.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.297 0.57 . . . . 0.0 110.102 179.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.86 -18.91 31.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.62 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 60.1 60.11 2.19 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.068 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.64 79.67 2.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.604 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -71.6 -41.67 68.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.0 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.58 178.35 5.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.775 -176.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 68.3 98.62 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.995 0.809 . . . . 0.0 110.334 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -134.99 108.7 8.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.02 -176.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 69.87 -175.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.038 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 36.6 m170 66.3 -177.59 0.19 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.781 -174.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -96.43 107.86 20.32 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 168.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -64.28 -16.24 61.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.385 -172.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.4 m170 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.392 175.385 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.6 tpp . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.516 0.198 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -75.96 -45.79 33.08 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -87.37 72.49 9.76 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -143.01 86.99 8.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.818 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -92.18 145.54 2.87 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 123.08 2.52 . . . . 0.0 112.711 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -92.6 132.3 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.5 m -124.08 114.04 19.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.02 0.438 . . . . 0.0 110.706 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -94.94 116.17 28.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.486 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -72.97 139.66 46.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.191 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -92.73 23.79 3.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.953 0.406 . . . . 0.0 111.366 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 m -81.36 79.84 7.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.521 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.45 -33.56 67.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.654 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 13' ' ' ARG . 10.6 ttm180 -152.51 122.82 7.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.208 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.6 tpt -155.36 21.6 0.42 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.901 0.858 . . . . 0.0 109.204 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 m -127.45 164.78 21.14 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.021 -173.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 mp -130.04 171.29 17.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 176.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 67.88 -163.79 0.21 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 122.607 0.363 . . . . 0.0 110.623 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -128.54 142.43 44.78 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.597 -179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 16.5 Cg_exo -68.4 113.74 3.22 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.779 2.319 . . . . 0.0 111.834 177.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -71.7 110.2 6.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.066 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -96.18 127.04 41.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.408 -176.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -116.03 134.16 60.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.513 -177.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.3 t -103.43 126.04 57.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.322 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 65' ' ' HIS . 15.7 m -136.5 158.2 37.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.048 0.451 . . . . 0.0 111.364 -175.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.9 t -104.24 -20.54 13.75 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 m -72.65 132.88 44.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.151 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -82.98 -12.3 57.4 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.774 0.286 . . . . 0.0 111.774 -175.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -132.56 124.12 27.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.8 0.333 . . . . 0.0 110.807 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.51 157.3 32.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.051 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.23 109.96 22.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.4 t -95.18 125.15 39.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.31 0.576 . . . . 0.0 109.693 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -138.3 20.73 2.77 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.553 -173.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' HA3' ' HA3' ' A' ' 39' ' ' GLY . . . 87.39 -110.88 3.62 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.931 -175.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -109.69 -109.29 3.22 Favored Glycine 0 CA--C 1.501 -0.813 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.98 176.52 2.06 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.999 -0.601 . . . . 0.0 109.916 171.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.55 115.55 4.94 Favored Glycine 0 N--CA 1.454 -0.14 0 C-N-CA 121.265 -0.493 . . . . 0.0 113.058 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 66.21 19.89 11.09 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.467 0.707 . . . . 0.0 111.837 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -101.42 74.81 1.56 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.847 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.466 ' HA3' ' HA3' ' A' ' 33' ' ' GLY . . . 155.2 -138.34 6.05 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.518 -177.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.477 ' CE1' ' HG ' ' A' ' 31' ' ' CYS . 26.4 p80 -89.57 162.82 35.35 Favored Pre-proline 0 C--N 1.318 -0.775 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.432 ' O ' HG23 ' A' ' 43' ' ' VAL . 64.7 Cg_exo -52.58 138.1 58.08 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.501 2.134 . . . . 0.0 111.948 175.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 23.8 ttp180 -57.94 119.71 7.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.359 0.6 . . . . 0.0 112.378 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 41' ' ' PRO . 12.2 t -125.7 157.96 34.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.29 177.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -107.93 109.83 21.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.842 0.353 . . . . 0.0 110.311 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.1 162.3 13.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.536 -176.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 t -125.6 146.47 49.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.191 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.535 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 56.5 mt -80.73 120.86 80.25 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.538 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.36 124.7 15.7 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.656 2.237 . . . . 0.0 111.43 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -76.66 -6.74 53.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.685 -175.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.433 ' HG3' HG21 ' A' ' 51' ' ' THR . 13.8 pt-20 -83.52 -25.1 31.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.823 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.503 ' HB ' ' CE1' ' A' ' 53' ' ' PHE . 7.9 p -111.21 -50.0 2.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.508 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.87 6.61 42.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.811 -176.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.503 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 42.9 p90 -153.11 155.55 36.98 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.535 ' HB ' ' HA ' ' A' ' 47' ' ' ILE . 5.7 p -125.8 122.11 61.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.357 0.598 . . . . 0.0 111.35 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.31 122.9 38.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.891 172.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.545 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 51.9 t -63.85 134.1 54.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.885 0.374 . . . . 0.0 110.416 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.21 -1.69 88.31 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.608 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -104.67 -32.49 8.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.804 0.335 . . . . 0.0 111.09 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.545 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 48.5 t -155.65 168.01 28.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -78.98 39.57 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.938 0.875 . . . . 0.0 111.07 -176.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.426 ' HD3' ' HA ' ' A' ' 61' ' ' ARG . 20.0 mmt180 -78.85 112.29 15.85 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 170.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -119.51 113.21 20.4 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.29 -170.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -103.91 131.81 50.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.814 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.466 HD11 ' HB2' ' A' ' 53' ' ' PHE . 15.8 mm -113.46 137.83 45.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.834 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.435 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 50.5 t-80 -74.12 145.42 44.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 67' ' ' SER . 13.8 pt-20 -52.03 -39.34 59.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.232 -177.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 16.4 t -80.26 -16.98 53.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.601 0.239 . . . . 0.0 111.233 -173.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -90.77 -22.7 20.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 109.758 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.17 -54.44 5.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.253 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -131.54 -73.85 0.53 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.299 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -173.12 148.19 1.67 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.264 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 67' ' ' SER . 72.9 tttt -86.42 146.46 26.42 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 173.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 73' ' ' LEU . 5.6 mp -70.6 127.06 31.41 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 174.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.413 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 1.7 tm-20 -70.19 127.83 34.16 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.631 -170.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -141.01 19.84 2.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.812 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -129.42 89.06 2.78 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.413 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 26.0 m80 -122.62 145.92 47.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.477 0.656 . . . . 0.0 112.568 -172.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -106.32 -177.92 3.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.81 -1.086 . . . . 0.0 108.382 168.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -141.65 97.95 3.25 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.5 t60 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.597 -0.716 . . . . 0.0 110.066 -178.6 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.6 mtt . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 2' ' ' ARG . 22.4 ttm-85 -72.69 133.69 44.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.815 0.341 . . . . 0.0 110.164 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.15 86.74 2.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.34 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.418 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 35.5 tt0 -104.32 126.58 31.16 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.431 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 4' ' ' GLN . 11.7 Cg_exo -70.26 73.98 1.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.785 2.323 . . . . 0.0 111.157 175.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -67.47 116.38 8.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.898 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 t -160.18 168.32 25.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.91 0.386 . . . . 0.0 110.409 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.94 141.27 40.56 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 175.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -115.0 114.49 25.48 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -104.67 105.61 15.76 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.0 m -79.52 69.72 5.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.279 0.561 . . . . 0.0 110.803 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.19 158.7 31.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.81 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -106.94 135.82 47.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.252 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.6 ptp -134.51 140.47 46.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.879 0.371 . . . . 0.0 110.727 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.9 m -94.4 109.13 21.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.815 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.702 ' H ' HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -80.77 158.19 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.481 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.36 161.04 14.92 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.643 -177.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.02 119.84 59.88 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.765 -178.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -65.23 141.59 69.67 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.843 2.362 . . . . 0.0 111.408 176.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.12 102.64 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.225 0.536 . . . . 0.0 109.725 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -90.08 142.86 27.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.775 -172.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -120.52 128.29 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.796 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.24 122.92 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.215 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.8 m -121.3 154.08 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.224 0.535 . . . . 0.0 111.551 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 m -97.97 -6.89 31.13 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.323 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 m -109.6 129.02 55.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.344 -176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -71.69 -41.84 68.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.904 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -111.66 112.01 23.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.224 0.535 . . . . 0.0 110.054 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.9 m -122.33 155.88 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.53 -172.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.81 116.79 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.97 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.7 t -96.08 138.39 33.77 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -128.85 11.87 6.17 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.583 0.706 . . . . 0.0 110.254 -172.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.16 -73.88 2.4 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.527 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.12 -138.92 3.73 Favored Glycine 0 C--N 1.313 -0.699 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -123.41 146.14 48.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.48 -105.29 2.7 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.819 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.8 78.07 1.61 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 120.96 0.409 . . . . 0.0 110.02 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -157.1 123.22 4.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.356 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.52 -140.2 11.55 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.332 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -110.62 166.53 10.59 Favored Pre-proline 0 C--N 1.314 -0.939 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.439 ' O ' HG21 ' A' ' 43' ' ' VAL . 50.7 Cg_exo -54.74 146.47 55.0 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.174 1.916 . . . . 0.0 111.049 173.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -64.59 115.52 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 41' ' ' PRO . 10.9 t -115.75 156.92 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.045 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -105.79 119.01 38.05 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.877 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -105.0 165.62 10.95 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.663 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.1 t -139.12 113.25 8.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.48 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.485 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 68.5 mt -75.3 121.18 84.67 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.457 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.44 123.97 14.16 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.413 2.075 . . . . 0.0 111.341 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -71.56 -17.63 62.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.422 -176.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -88.57 -3.87 58.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.003 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.9 m -117.48 -46.03 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.13 -26.34 24.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.406 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -136.83 156.47 48.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.487 HG11 ' HB2' ' A' ' 63' ' ' TYR . 14.0 p -111.44 134.37 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.041 0.448 . . . . 0.0 110.548 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -101.65 109.07 20.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 42.4 t -76.84 143.46 39.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.136 0.493 . . . . 0.0 111.031 -176.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.37 -16.34 57.34 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.943 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -84.53 -29.95 25.52 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.683 0.278 . . . . 0.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 33.8 t -156.36 160.61 39.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -86.81 32.42 0.67 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.83 0.824 . . . . 0.0 110.628 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -82.27 118.48 23.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.15 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -91.63 112.3 24.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.655 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.487 ' HB2' HG11 ' A' ' 54' ' ' VAL . 93.3 m-85 -103.59 111.57 24.1 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.586 HD11 ' HD2' ' A' ' 68' ' ' PHE . 11.0 tt -113.55 136.5 49.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.806 0.336 . . . . 0.0 110.174 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -76.31 141.73 41.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -60.29 -19.25 54.2 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -175.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.0 t -64.39 -35.67 81.65 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.586 ' HD2' HD11 ' A' ' 64' ' ' ILE . 12.9 t80 -78.79 -19.18 52.8 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.338 0.589 . . . . 0.0 109.696 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.12 -27.06 23.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.68 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -30.07 70.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.08 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.43 68.06 4.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.256 0.551 . . . . 0.0 109.769 174.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -70.79 -52.29 21.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.905 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.5 mt -88.94 125.56 35.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.187 0.518 . . . . 0.0 109.899 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -106.39 -37.96 6.35 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.983 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.3 m80 62.95 -98.43 0.07 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.387 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.4 p80 175.14 154.6 0.15 Allowed 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -87.25 -83.67 0.2 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.26 98.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 111.426 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -73.6 -51.07 18.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 168.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.974 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.064 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtm . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.906 0.384 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -148.97 111.9 4.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 3' ' ' ARG . 53.2 mtt-85 -81.7 43.14 0.74 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.059 0.457 . . . . 0.0 111.345 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -73.85 143.43 81.3 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 175.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -40.66 105.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.218 2.612 . . . . 0.0 112.562 178.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -62.21 139.49 58.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.62 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.9 m -59.2 106.3 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.907 -173.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -98.64 79.36 2.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.249 177.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.69 21.86 16.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.153 -175.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -91.19 101.0 13.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.187 0.518 . . . . 0.0 109.849 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.0 t -103.36 11.11 37.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.16 -174.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.06 134.84 22.36 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.82 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -123.26 108.22 12.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.307 0.575 . . . . 0.0 110.004 175.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.5 mtt -111.27 103.29 11.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.517 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -82.52 80.97 8.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.445 0.64 . . . . 0.0 110.373 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mt -89.83 166.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.484 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -73.73 86.78 1.69 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.526 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 66.26 90.54 0.09 OUTLIER Pre-proline 0 N--CA 1.465 0.314 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.204 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.16 176.75 9.14 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.67 2.247 . . . . 0.0 112.26 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.84 102.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.696 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -119.46 107.41 13.29 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.535 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.2 t -122.11 100.62 8.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.493 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.4 t -93.25 127.41 45.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.232 -177.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 65' ' ' HIS . 17.2 m -137.11 153.6 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.484 ' HG ' ' HG2' ' A' ' 66' ' ' GLU . 16.5 m -102.84 7.93 39.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.511 0.672 . . . . 0.0 109.717 173.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.0 m -105.8 135.05 47.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.571 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -88.72 -56.18 3.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.892 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -81.97 112.3 18.94 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 m -122.08 138.04 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-O 121.116 0.484 . . . . 0.0 111.282 -173.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.25 101.0 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.911 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -84.68 142.89 29.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -138.83 24.21 2.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.736 0.779 . . . . 0.0 109.233 -173.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.6 -136.29 14.48 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.768 -176.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.56 -90.65 0.96 Allowed Glycine 0 CA--C 1.502 -0.759 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -79.76 -178.25 6.31 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 114.642 -0.779 . . . . 0.0 109.614 169.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.59 116.16 8.53 Favored Glycine 0 C--O 1.235 0.21 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.886 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 65.12 14.88 9.68 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.487 0.715 . . . . 0.0 111.59 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -95.49 86.73 4.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -178.494 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.35 -59.49 0.62 Allowed Glycine 0 CA--C 1.498 -0.993 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.656 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.5 p80 -166.19 160.38 12.58 Favored Pre-proline 0 C--N 1.301 -1.5 0 CA-C-N 113.957 -1.122 . . . . 0.0 110.094 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.09 171.47 7.55 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.816 2.344 . . . . 0.0 112.204 176.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -66.43 119.31 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.88 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -119.49 152.37 22.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -97.8 112.27 24.24 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.451 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.08 163.29 15.38 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.2 t -140.14 117.71 11.53 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.981 0.42 . . . . 0.0 110.103 178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.472 HG12 ' CG1' ' A' ' 54' ' ' VAL . 58.5 mt -68.82 122.86 86.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.742 176.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 6.4 Cg_endo -50.44 131.38 32.1 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.721 2.281 . . . . 0.0 111.644 178.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -79.31 6.54 9.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.945 -166.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -124.01 -34.86 2.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.833 -174.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.47 -43.25 12.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.729 0.299 . . . . 0.0 110.911 178.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' HA3' ' CD2' ' A' ' 68' ' ' PHE . . . 89.3 15.22 59.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.781 172.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -149.27 154.75 39.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG1' HG12 ' A' ' 47' ' ' ILE . 14.5 p -143.85 135.41 22.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.313 0.578 . . . . 0.0 110.726 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -103.89 115.74 31.01 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 46.2 t -58.98 105.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 111.305 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.57 44.62 3.25 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.389 -0.685 . . . . 0.0 111.389 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -149.48 -44.67 0.14 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 50.8 t -102.02 -83.39 0.46 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.391 175.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 59' ' ' CYS . 24.9 t70 169.34 -35.5 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.702 0.626 . . . . 0.0 110.212 -178.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -60.17 144.76 49.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.75 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -103.52 142.14 34.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -121.42 144.28 48.76 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -141.7 147.61 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.937 0.399 . . . . 0.0 111.242 -178.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.438 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 44.6 t-80 -77.75 148.53 34.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.109 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' HG2' ' HG ' ' A' ' 25' ' ' SER . 2.1 pp20? -58.27 -32.84 68.78 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -175.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 t -68.84 -31.78 71.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.167 0.508 . . . . 0.0 110.83 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.529 ' CD2' ' HA3' ' A' ' 52' ' ' GLY . 97.0 m-85 -96.5 -7.0 35.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.11 0.481 . . . . 0.0 111.346 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -103.86 -63.9 1.15 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.532 -176.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.25 -61.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -174.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.407 ' C ' ' HD2' ' A' ' 72' ' ' LYS . . . 55.82 -103.0 0.16 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.719 0.637 . . . . 0.0 111.219 -176.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 71' ' ' ALA . 2.2 mptp? -142.1 -79.0 0.24 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.92 0.391 . . . . 0.0 111.624 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.0 mt -126.55 153.23 45.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.17 -173.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.93 -65.92 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 173.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -137.91 164.88 27.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.344 -1.298 . . . . 0.0 108.193 171.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -72.38 103.35 3.41 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -55.65 137.9 48.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.081 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -125.36 117.23 23.27 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.901 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -67.43 130.69 43.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 119.347 -0.359 . . . . 0.0 110.32 176.817 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.524 0.202 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.5 mtm105 -62.35 108.34 1.08 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.208 0.527 . . . . 0.0 110.267 176.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -101.0 166.78 10.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.75 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -90.44 120.32 69.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.811 176.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.93 137.45 34.99 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.119 1.879 . . . . 0.0 111.369 176.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.56 118.5 9.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.958 0.409 . . . . 0.0 110.33 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -74.05 142.0 45.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.315 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -109.26 109.21 20.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.031 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -90.18 73.14 7.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.328 0.585 . . . . 0.0 110.0 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -134.73 121.81 21.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.875 -176.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 t -133.26 21.9 4.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.367 0.603 . . . . 0.0 109.809 175.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.99 107.92 16.64 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.334 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 13' ' ' ARG . 37.8 ttm180 -91.14 143.91 26.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.701 -177.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.5 mmt 58.2 68.37 0.84 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.648 0.593 . . . . 0.0 110.858 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.0 t -116.78 100.9 8.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.442 HD13 ' H ' ' A' ' 16' ' ' ILE . 2.4 mp -99.15 168.83 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -178.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -160.05 85.1 0.74 Allowed 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.054 -175.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 70.42 137.32 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.367 0 O-C-N 124.149 0.906 . . . . 0.0 112.798 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -69.84 171.86 13.77 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.608 2.205 . . . . 0.0 111.593 174.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.42 114.19 1.9 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.278 0.561 . . . . 0.0 112.206 -175.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 t -100.77 125.62 47.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.943 174.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.51 126.01 62.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.919 -175.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.427 ' CG1' ' HA ' ' A' ' 66' ' ' GLU . 47.3 t -88.89 122.14 39.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.451 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 m -128.1 148.23 32.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.473 0.654 . . . . 0.0 111.637 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 p -91.36 -7.92 49.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.137 176.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 m -98.13 137.87 36.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.33 -177.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -81.29 -39.5 25.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.912 0.387 . . . . 0.0 110.425 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -96.0 114.34 26.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.716 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.508 HG22 ' HB2' ' A' ' 45' ' ' LEU . 12.0 m -116.69 130.94 70.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.318 0.58 . . . . 0.0 111.164 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.11 104.59 17.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.58 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 t -82.23 139.41 34.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -178.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -127.95 13.69 6.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.477 -173.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.4 -90.49 1.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.678 -0.692 . . . . 0.0 113.21 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -125.61 -153.59 8.49 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.188 -176.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -113.02 173.05 6.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.7 0.286 . . . . 0.0 110.502 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.62 -103.82 1.19 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.517 -0.849 . . . . 0.0 111.438 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -140.43 24.55 2.27 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.155 0.503 . . . . 0.0 109.863 176.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -105.98 150.84 25.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.956 -176.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.32 -146.8 18.88 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.282 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.529 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 25.9 p80 -117.78 163.3 24.87 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 30.4 Cg_endo -63.03 167.16 12.79 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.504 2.136 . . . . 0.0 112.053 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 ttm105 -56.04 118.69 4.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.685 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 t -119.99 157.15 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -108.81 116.93 32.93 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.066 0.46 . . . . 0.0 111.14 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.508 ' HB2' HG22 ' A' ' 29' ' ' VAL . 89.9 mt -114.83 162.52 16.77 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.0 t -140.0 129.74 24.52 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.5 mt -71.99 114.3 27.82 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.528 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.64 135.37 35.7 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.49 2.127 . . . . 0.0 111.535 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -74.38 0.38 14.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.255 0.55 . . . . 0.0 110.047 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.439 ' HG3' HG23 ' A' ' 51' ' ' THR . 11.7 pt-20 -97.76 -13.99 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.966 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.439 HG23 ' HG3' ' A' ' 50' ' ' GLU . 32.2 p -120.54 -48.74 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 111.758 -177.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.0 -6.03 53.74 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.648 -0.786 . . . . 0.0 111.995 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -158.03 167.01 31.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.2 p -139.92 138.25 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.941 0.401 . . . . 0.0 110.593 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -106.15 134.47 49.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.713 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.7 t -75.02 146.52 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.352 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -95.98 -17.82 33.85 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.149 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -90.87 -57.77 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.355 0.598 . . . . 0.0 110.427 177.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -103.06 167.96 9.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.58 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.53 6.11 39.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.013 0.435 . . . . 0.0 110.8 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -73.28 148.59 43.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.318 -178.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -122.99 147.1 47.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.169 -175.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -125.95 122.65 36.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.6 mt -122.84 142.99 37.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.383 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.85 143.66 55.66 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.018 0.437 . . . . 0.0 111.045 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 8.7 pt-20 -48.76 -39.74 26.13 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.222 -0.899 . . . . 0.0 113.407 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 71.1 m -70.42 -17.82 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -173.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -81.06 -22.52 39.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.231 0.538 . . . . 0.0 110.297 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.33 3.46 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.579 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.57 -37.95 49.44 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.224 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 67.27 -63.12 0.3 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.985 0.803 . . . . 0.0 112.355 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.528 ' HD2' ' N ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -99.19 108.69 21.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.869 0.366 . . . . 0.0 110.043 -179.621 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.6 mt -88.85 -173.42 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.489 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -36.31 72.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.723 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -79.16 88.31 4.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.117 174.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -73.4 114.16 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.029 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -80.09 16.71 1.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.202 0.525 . . . . 0.0 110.749 -178.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -65.38 -30.49 71.32 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -103.61 138.31 40.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.851 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.473 176.903 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -115.18 131.09 57.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -163.32 113.6 1.36 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 38.39 76.02 0.51 Allowed Pre-proline 0 N--CA 1.473 0.688 0 O-C-N 124.442 1.089 . . . . 0.0 113.05 -177.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -86.87 -171.59 0.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.759 2.306 . . . . 0.0 112.169 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -120.64 109.63 15.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.974 0.416 . . . . 0.0 110.105 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -68.25 134.51 50.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.122 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -58.31 124.26 18.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.302 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -92.29 171.48 9.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.28 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 58.26 25.87 13.19 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.141 0.496 . . . . 0.0 110.9 -174.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.0 t -95.21 11.76 31.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.404 0.621 . . . . 0.0 110.273 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.54 153.8 36.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.125 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -105.84 111.1 23.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.489 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 23.3 ttt -80.59 67.67 6.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.247 0.546 . . . . 0.0 111.05 -175.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.9 t -160.13 79.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.356 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -141.38 159.73 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -178.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -140.4 164.91 28.86 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -154.76 127.83 4.23 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.026 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 33.6 Cg_exo -59.98 140.26 91.91 Favored 'Trans proline' 0 C--O 1.237 0.461 0 C-N-CA 122.884 2.389 . . . . 0.0 112.383 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 43.4 mt-10 59.68 50.78 6.84 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.768 -175.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.0 t -89.37 142.77 27.36 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -112.46 127.12 69.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.565 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 46.8 t -87.92 118.45 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.9 m -118.77 156.12 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.028 -172.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -105.97 -3.04 22.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.897 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -107.61 134.79 50.1 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.043 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -80.06 -35.06 37.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 110.957 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 45' ' ' LEU . 30.3 mtpp -96.85 105.77 17.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 176.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.72 138.23 31.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.157 0.503 . . . . 0.0 111.502 -174.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.59 103.29 15.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.623 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.3 t -103.54 139.68 38.54 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.093 0.473 . . . . 0.0 110.459 -176.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -135.66 19.77 3.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.172 0.987 . . . . 0.0 108.525 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.409 ' HA3' ' HA3' ' A' ' 39' ' ' GLY . . . 72.37 -112.29 3.95 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.912 -172.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -114.5 -41.5 0.87 Allowed Glycine 0 CA--C 1.5 -0.897 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.639 ' HB2' HD11 ' A' ' 38' ' ' LEU . 5.4 mm-40 -157.86 170.59 22.0 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 113.349 -1.426 . . . . 0.0 108.732 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.61 124.61 34.09 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.12 177.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 74.98 -10.39 1.22 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.594 0.758 . . . . 0.0 111.903 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.639 HD11 ' HB2' ' A' ' 35' ' ' GLU . 83.3 mt -101.15 76.83 1.76 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' HA3' ' HA3' ' A' ' 33' ' ' GLY . . . 130.56 -105.23 0.64 Allowed Glycine 0 N--CA 1.442 -0.917 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.304 -172.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.566 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 32.2 p80 -152.5 163.59 23.05 Favored Pre-proline 0 C--N 1.305 -1.353 0 CA-C-N 114.963 -0.619 . . . . 0.0 109.771 177.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.469 ' O ' HG21 ' A' ' 43' ' ' VAL . 35.3 Cg_exo -60.47 156.25 42.66 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.536 2.157 . . . . 0.0 111.763 175.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -57.07 115.19 2.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.121 0.486 . . . . 0.0 111.888 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 41' ' ' PRO . 11.3 t -120.72 155.29 24.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.458 176.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -110.02 103.24 11.95 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.2 mt -92.2 172.09 8.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.76 -174.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 m -135.88 109.38 7.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.689 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.2 mt -72.4 127.45 90.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.698 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.36 132.16 47.13 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.547 2.165 . . . . 0.0 111.768 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -79.52 -18.32 52.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.381 -175.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -93.08 6.69 47.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.346 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.0 p -118.84 -56.47 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.742 0.306 . . . . 0.0 111.149 176.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.99 0.34 54.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.864 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -166.68 163.54 16.72 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.8 p -166.43 145.52 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.74 0.305 . . . . 0.0 110.704 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 2.4 mp0 -77.98 158.62 29.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 173.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.0 t -73.71 138.07 44.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.18 -12.29 79.55 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.091 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -110.64 -24.83 10.29 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.566 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 93.8 m -138.96 162.83 33.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.332 0.587 . . . . 0.0 112.152 -176.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.06 -31.89 73.13 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 114.708 -1.133 . . . . 0.0 113.612 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.481 ' NH1' ' HB2' ' A' ' 20' ' ' GLU . 89.7 mtt-85 -65.58 150.06 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.416 0.627 . . . . 0.0 112.191 -172.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 62' ' ' ARG . 42.8 ttm105 -120.12 145.84 46.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.895 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -111.74 147.76 34.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.249 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 67.3 mt -125.92 137.51 57.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.018 -173.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -83.87 146.78 27.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.442 177.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 67' ' ' SER . 7.6 pt-20 -45.05 -39.81 6.1 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 50.8 m -75.83 -4.08 38.7 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -172.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.489 ' CE1' ' HE2' ' A' ' 14' ' ' MET . 73.1 t80 -93.28 -28.92 15.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.912 0.387 . . . . 0.0 110.21 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.86 87.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.688 -174.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.95 -30.79 14.56 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.55 178.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.79 -94.57 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.486 -178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -149.47 154.34 38.66 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.22 161.71 18.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.264 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -87.7 94.95 9.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.701 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.9 m80 66.9 159.68 0.14 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.913 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 58.1 m170 -87.0 116.81 25.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.819 175.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -126.07 177.39 6.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.75 -177.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -98.11 155.13 17.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.675 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.99 -7.89 10.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.009 0.433 . . . . 0.0 110.977 177.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.9 t60 . . . . . 0 C--O 1.248 1.012 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.036 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.523 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 48.9 t . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -86.97 123.94 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.931 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.2 m -119.58 153.73 22.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.285 0.564 . . . . 0.0 111.578 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -102.57 -3.82 26.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.289 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.8 m -119.39 130.99 55.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.428 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -66.84 -29.28 69.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.731 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -97.13 113.87 25.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -113.24 150.86 15.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.994 0.426 . . . . 0.0 110.525 -176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.7 104.68 14.44 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.606 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 13.0 t -92.62 155.79 17.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.859 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -171.45 84.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -173.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.674 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.423 173.725 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.65 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 34.8 p80 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.62 171.13 11.23 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.504 2.136 . . . . 0.0 112.302 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 39.2 ttm180 -63.09 121.51 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.619 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -129.02 154.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -106.75 119.58 39.71 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.181 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.0 mt -110.71 159.24 17.79 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.226 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.6 t -124.08 120.99 33.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.843 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.734 HG12 HG12 ' A' ' 54' ' ' VAL . 59.4 mt -80.91 121.69 81.15 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.397 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.475 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 31.6 Cg_exo -60.84 124.46 15.0 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.669 2.246 . . . . 0.0 111.246 176.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -72.15 -28.16 63.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 -170.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.9 pm0 -92.85 5.73 50.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.234 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.475 ' HB ' ' HB2' ' A' ' 48' ' ' PRO . 17.0 m -115.36 -39.11 3.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.38 -37.21 3.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.354 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.517 ' HB3' HG13 ' A' ' 64' ' ' ILE . 37.5 p90 -148.0 166.31 28.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.754 0.311 . . . . 0.0 110.927 -178.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.734 HG12 HG12 ' A' ' 47' ' ' ILE . 10.4 p -143.33 143.91 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.109 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -99.31 149.34 23.23 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.516 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 52.9 t -74.58 137.87 42.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.62 -13.56 81.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.342 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -104.91 -61.05 1.52 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.103 0.478 . . . . 0.0 110.818 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.65 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 74.9 m -97.35 155.27 16.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.012 -176.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.34 8.05 12.36 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -80.32 129.88 34.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.053 0.454 . . . . 0.0 110.25 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -103.6 143.66 32.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.926 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.523 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 94.0 m-85 -117.63 135.88 53.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.284 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.633 HD11 ' HD2' ' A' ' 68' ' ' PHE . 15.1 tt -137.37 144.36 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.648 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -73.09 144.3 47.06 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -53.77 -33.46 55.94 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -176.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.3 t -67.78 -33.44 74.82 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 -177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.633 ' HD2' HD11 ' A' ' 64' ' ' ILE . 7.6 t80 -88.22 -14.96 37.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.224 0.535 . . . . 0.0 110.031 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.261 -177.347 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.849 0.356 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.4 t -95.26 121.56 45.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 174.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.05 147.55 26.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.281 0.562 . . . . 0.0 111.863 -174.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.8 m -103.04 -17.61 15.35 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.029 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.1 p -93.58 154.45 17.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.51 -176.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -79.65 -55.39 5.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.586 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -94.87 121.66 36.69 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -116.62 152.15 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.07 106.32 18.54 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.723 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 41.6 t -89.85 141.88 28.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -135.8 26.56 3.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.618 0.723 . . . . 0.0 110.551 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 C-N-CA 120.766 -0.73 . . . . 0.0 113.449 174.228 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.545 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 33.8 p80 . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 63.4 Cg_endo -73.01 177.24 8.01 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.407 2.071 . . . . 0.0 112.614 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 41.0 ttm180 -61.15 115.24 3.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.593 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.613 HG22 ' H ' ' A' ' 44' ' ' TRP . 9.9 p -122.6 169.81 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.049 176.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.613 ' H ' HG22 ' A' ' 43' ' ' VAL . 99.0 m95 -107.62 110.63 22.56 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.095 -176.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -105.15 165.73 10.89 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 t -147.85 129.51 15.08 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.571 HD13 HG12 ' A' ' 54' ' ' VAL . 46.2 mm -69.1 114.46 23.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.537 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.557 ' HD3' ' HB ' ' A' ' 54' ' ' VAL . 35.7 Cg_exo -60.82 125.99 18.58 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.728 2.285 . . . . 0.0 111.531 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -75.76 -5.81 47.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.258 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -107.19 5.39 27.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.574 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.444 ' HB ' ' HB2' ' A' ' 48' ' ' PRO . 11.5 m -135.46 -53.25 0.77 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -174.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.95 -19.4 35.4 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.144 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.422 ' HB2' HD13 ' A' ' 64' ' ' ILE . 48.0 p90 -149.76 163.13 38.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.571 HG12 HD13 ' A' ' 47' ' ' ILE . 11.3 p -155.21 148.62 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.203 0.525 . . . . 0.0 111.361 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -120.17 154.48 34.73 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.31 156.99 18.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.046 0.451 . . . . 0.0 111.104 -174.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.72 -19.54 47.67 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.574 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -84.98 -22.1 29.26 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.415 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 13.4 p -154.52 145.4 22.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.602 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.21 34.22 0.2 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.677 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -86.68 137.8 32.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -110.3 132.05 54.51 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.483 -176.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -114.25 120.25 39.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.899 0.38 . . . . 0.0 110.276 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.422 HD13 ' HB2' ' A' ' 53' ' ' PHE . 35.2 mm -113.12 132.05 63.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.717 -177.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -69.68 143.33 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -52.53 -30.93 33.05 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -71.02 -18.45 62.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.699 0.285 . . . . 0.0 111.167 -176.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -103.33 -12.9 16.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.347 0.594 . . . . 0.0 110.508 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.208 -176.175 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 120.962 0.41 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 58.3 t -90.37 123.43 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.089 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.32 151.28 13.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.388 0.613 . . . . 0.0 111.355 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -102.37 0.12 33.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.466 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -114.81 157.93 22.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.946 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -90.29 -27.56 19.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.95 0.405 . . . . 0.0 110.282 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -98.17 140.3 32.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.074 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.559 HG23 ' HB2' ' A' ' 45' ' ' LEU . 4.9 m -131.5 119.2 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-O 121.511 0.672 . . . . 0.0 110.651 174.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.01 93.62 9.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.029 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 49.2 t -85.7 127.79 34.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.547 0.689 . . . . 0.0 110.587 -172.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -114.44 6.88 16.11 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.629 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.793 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.213 -179.097 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.574 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 6.9 p80 . . . . . 0 CA--C 1.529 0.166 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.574 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 7.5 Cg_endo -50.18 140.58 32.9 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.378 2.052 . . . . 0.0 111.379 173.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 33.1 ttm180 -66.26 120.77 13.84 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.479 -174.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.9 t -119.52 156.2 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.781 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -109.39 107.6 17.84 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.236 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.559 ' HB2' HG23 ' A' ' 29' ' ' VAL . 68.9 mt -105.99 160.76 15.04 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.7 t -136.95 130.07 31.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.902 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.7 mt -73.73 129.35 85.37 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.236 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -51.67 121.44 8.59 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.835 2.356 . . . . 0.0 111.925 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -77.16 70.59 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.418 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.477 ' HG3' HG23 ' A' ' 51' ' ' THR . 9.5 pt-20 -173.27 -33.76 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.496 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.477 HG23 ' HG3' ' A' ' 50' ' ' GLU . 25.9 p -107.77 -75.51 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.498 -176.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.646 ' HA3' ' HB2' ' A' ' 68' ' ' PHE . . . 129.74 8.58 3.42 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.573 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -136.24 153.44 51.21 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -133.59 -45.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.02 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.56 ' HG2' ' HG3' ' A' ' 62' ' ' ARG . 48.4 mt-10 65.68 -167.17 0.22 Allowed 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.291 0.37 . . . . 0.0 110.032 -174.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.1 t -142.12 138.71 31.84 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.159 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.51 41.25 2.27 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 174.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -155.49 -48.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.8 t -106.58 162.15 13.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.267 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.19 12.64 28.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.896 0.379 . . . . 0.0 111.485 -176.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -89.92 128.44 36.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.498 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.56 ' HG3' ' HG2' ' A' ' 55' ' ' GLU . 44.1 ttm180 -91.74 147.17 23.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.966 176.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -128.27 135.26 49.41 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.514 0.197 . . . . 0.0 110.489 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 79.7 mt -128.33 135.27 63.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.437 -177.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -79.48 148.8 31.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -54.48 -31.07 55.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.8 t -74.19 -31.07 62.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.548 0.213 . . . . 0.0 110.813 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.646 ' HB2' ' HA3' ' A' ' 52' ' ' GLY . 74.5 t80 -79.55 -20.47 46.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.522 0.677 . . . . 0.0 109.474 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.739 179.082 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.428 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 61.6 t . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.958 0.409 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 45.7 t -82.39 116.21 26.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.457 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -109.98 153.07 11.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.886 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.4 t -112.64 7.0 18.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.832 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 28' ' ' LYS . 7.3 m -128.79 132.69 47.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.243 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.462 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 87.3 m95 -79.9 -21.49 43.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.26 0.552 . . . . 0.0 111.188 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' H ' HG22 ' A' ' 26' ' ' THR . 27.3 mmmt -102.03 103.98 14.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.966 177.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.8 m -109.47 151.47 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.82 0.343 . . . . 0.0 111.288 -175.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.71 112.19 18.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.663 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 39.1 t -100.75 149.02 24.24 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -141.79 26.12 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.694 0.759 . . . . 0.0 110.05 -176.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.567 0 CA-C-N 115.454 -0.793 . . . . 0.0 112.726 177.789 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.0 p80 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.45 160.48 39.23 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.823 2.348 . . . . 0.0 112.082 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.599 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 8.4 tmm_? -52.76 132.56 36.62 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.058 0.456 . . . . 0.0 111.67 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.569 HG21 ' HE2' ' A' ' 58' ' ' TYR . 14.7 p -136.5 160.77 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.868 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.466 ' N ' HG22 ' A' ' 43' ' ' VAL . 97.4 m95 -112.22 129.95 56.09 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.758 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -123.56 163.22 21.41 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.1 t -129.45 109.87 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.661 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.495 HG12 HG11 ' A' ' 54' ' ' VAL . 58.8 mt -71.67 125.79 91.65 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.687 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 16.6 Cg_exo -67.61 126.15 14.35 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.593 2.196 . . . . 0.0 111.747 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.462 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 22.8 m-70 -68.23 -26.46 65.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.801 -176.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -75.83 -14.34 60.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.887 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.3 p -113.85 -37.57 4.48 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.327 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.544 ' HA3' ' CD1' ' A' ' 68' ' ' PHE . . . 83.88 -26.73 4.66 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.182 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -119.41 156.71 29.64 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.495 HG11 HG12 ' A' ' 47' ' ' ILE . 14.8 p -142.68 140.02 28.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.93 0.395 . . . . 0.0 111.056 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -94.52 132.91 38.69 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.551 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 52.0 t -68.49 135.43 51.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.989 0.423 . . . . 0.0 110.363 -178.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.4 -27.0 74.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.86 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.569 ' HE2' HG21 ' A' ' 43' ' ' VAL . 75.2 m-85 -87.2 -55.38 3.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.217 0.532 . . . . 0.0 111.18 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.551 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 12.3 p -119.19 154.81 32.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.022 -171.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -77.03 40.86 0.27 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.056 0.931 . . . . 0.0 110.605 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.413 ' H ' ' C ' ' A' ' 59' ' ' CYS . 16.8 ttt180 -100.11 142.57 31.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.756 174.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -122.84 139.36 54.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.096 0.474 . . . . 0.0 110.909 -175.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.428 ' CD2' ' HB ' ' A' ' 22' ' ' VAL . 91.6 m-85 -120.07 142.17 49.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.635 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 18.3 tt -133.8 138.0 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.273 -178.017 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -72.29 147.77 46.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.406 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -49.7 -37.36 28.68 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.621 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.1 t -63.74 -42.09 97.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.544 ' CD1' ' HA3' ' A' ' 52' ' ' GLY . 43.7 m-85 -84.15 -9.12 58.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.929 0.395 . . . . 0.0 110.977 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.879 175.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.504 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 46.1 t . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.939 0.399 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.479 HG22 ' HB ' ' A' ' 64' ' ' ILE . 72.0 t -99.91 125.13 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.05 172.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.8 163.27 22.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.345 0.593 . . . . 0.0 111.971 -172.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 t -99.84 -0.57 39.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 174.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 m -98.45 133.93 42.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.062 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -78.17 -36.04 48.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.755 0.312 . . . . 0.0 111.406 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -87.01 115.24 24.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.181 0.515 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.6 135.37 59.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.05 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.55 106.03 18.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.3 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.4 t -86.67 148.65 25.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.934 -178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -163.88 72.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.621 0.725 . . . . 0.0 109.527 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.451 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.087 178.644 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.447 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 31.7 p80 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 13.5 Cg_endo -57.88 159.24 18.31 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.655 2.237 . . . . 0.0 111.931 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 5.1 tmm_? -65.43 128.91 37.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.317 0.579 . . . . 0.0 111.079 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -126.82 156.76 38.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.727 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -104.65 112.1 25.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.129 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.7 mt -108.17 153.77 22.69 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.037 0.446 . . . . 0.0 110.884 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 t -120.62 106.98 12.27 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.12 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.557 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 70.7 mt -54.04 123.17 39.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.982 -178.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.444 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 99.8 Cg_exo -44.58 118.65 1.89 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.327 2.685 . . . . 0.0 112.34 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -81.12 -6.97 59.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.029 -167.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -101.85 -25.49 13.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.983 0.421 . . . . 0.0 110.928 -178.608 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 4.0 p -99.38 -52.53 3.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.589 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.92 7.73 26.85 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.31 -0.947 . . . . 0.0 113.028 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -149.44 145.35 26.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.557 ' HB ' ' HA ' ' A' ' 47' ' ' ILE . 7.2 p -113.24 130.15 67.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.447 0.641 . . . . 0.0 111.835 -177.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -104.55 109.66 21.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.256 -0.883 . . . . 0.0 108.729 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.79 136.68 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.005 0.431 . . . . 0.0 111.338 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.71 35.02 3.98 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.903 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -150.34 -61.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 23.3 t -102.63 177.69 4.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.813 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.93 57.64 0.64 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.809 0.814 . . . . 0.0 109.859 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HA ' ' HE ' ' A' ' 61' ' ' ARG . 1.4 mmp_? -112.58 124.83 53.41 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.326 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -102.73 116.6 32.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.163 0.506 . . . . 0.0 111.073 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.522 ' HB2' HG12 ' A' ' 54' ' ' VAL . 38.7 m-85 -103.01 131.18 50.18 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.479 ' HB ' HG22 ' A' ' 23' ' ' VAL . 59.3 mt -113.83 139.44 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.837 0.351 . . . . 0.0 110.682 -174.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -85.65 144.43 27.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -54.98 -28.76 54.27 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 t -72.33 -30.69 64.98 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.069 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -79.92 -27.26 39.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.052 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.183 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.257 -175.76 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 121.239 0.542 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.403 HG13 ' HA ' ' A' ' 66' ' ' GLU . 46.9 t -84.15 124.21 39.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.067 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.424 HG21 ' CD1' ' A' ' 47' ' ' ILE . 27.2 m -119.9 150.59 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.0 t -105.67 -6.83 18.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.668 0.747 . . . . 0.0 109.434 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -116.65 135.41 53.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.623 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.406 ' HE3' ' HB ' ' A' ' 47' ' ' ILE . 97.5 m95 -75.6 -37.59 59.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.985 0.421 . . . . 0.0 110.581 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -97.25 106.3 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.411 HG23 ' HB2' ' A' ' 45' ' ' LEU . 11.6 m -112.8 130.44 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.404 -175.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.76 107.98 19.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.799 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.4 t -97.98 138.41 35.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.911 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -124.27 14.8 9.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.839 0.828 . . . . 0.0 109.981 -176.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.716 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.584 177.368 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.8 p80 . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.96 149.29 80.19 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.179 1.919 . . . . 0.0 111.901 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -52.51 128.89 27.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.506 -176.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.492 HG22 ' N ' ' A' ' 44' ' ' TRP . 10.1 p -134.19 163.93 35.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-O 121.336 0.588 . . . . 0.0 111.06 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.492 ' N ' HG22 ' A' ' 43' ' ' VAL . 92.5 m95 -118.13 115.97 25.89 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.736 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' HB2' HG23 ' A' ' 29' ' ' VAL . 68.5 mt -107.73 160.7 15.52 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 t -135.84 112.78 10.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.489 HG12 HG11 ' A' ' 54' ' ' VAL . 62.7 mt -72.7 128.84 87.73 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.992 -176.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.645 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 75.0 Cg_exo -50.28 123.97 12.11 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.982 2.455 . . . . 0.0 111.53 175.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -80.07 -13.99 58.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.16 -168.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -103.74 -5.72 22.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.779 0.323 . . . . 0.0 110.848 -178.768 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.645 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 67.1 p -100.31 -55.68 2.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.847 0.356 . . . . 0.0 110.238 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.56 5.56 53.89 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.092 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -153.47 156.29 37.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.703 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.489 HG11 HG12 ' A' ' 47' ' ' ILE . 10.1 p -149.39 146.74 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.364 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -107.05 132.75 52.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 44.1 t -84.77 99.83 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.67 -17.6 75.04 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.205 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -89.89 -26.32 20.52 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.713 0.292 . . . . 0.0 111.478 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -106.87 -85.24 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.2 t70 171.48 -40.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.881 0.738 . . . . 0.0 110.079 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -54.14 138.58 37.73 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.438 -174.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 49.2 ttm-85 -105.58 129.22 53.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.996 173.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -109.69 140.13 43.91 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -176.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.0 tt -131.41 144.91 36.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.402 ' HB3' ' HD1' ' A' ' 68' ' ' PHE . 50.4 t-80 -72.15 146.92 47.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.7 0.286 . . . . 0.0 110.759 -178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HA ' HG13 ' A' ' 23' ' ' VAL . 15.2 pt-20 -48.17 -46.01 34.23 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.014 -177.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.7 t -70.37 -36.18 73.98 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.702 0.286 . . . . 0.0 111.222 -173.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.402 ' HD1' ' HB3' ' A' ' 65' ' ' HIS . 87.6 m-85 -78.64 -17.95 55.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.911 0.386 . . . . 0.0 111.174 -177.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.017 -176.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 t . . . . . 0 C--O 1.236 0.352 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.81 127.48 43.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.905 0.383 . . . . 0.0 110.554 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.458 ' HB ' HG22 ' A' ' 26' ' ' THR . 29.0 m -134.5 152.47 33.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -113.27 18.5 17.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.458 HG22 ' HB ' ' A' ' 24' ' ' VAL . 5.2 t -117.55 155.12 30.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.044 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -96.25 -9.19 30.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.342 . . . . 0.0 111.6 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -126.0 121.91 34.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.799 0.333 . . . . 0.0 110.173 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.8 m -119.24 133.25 66.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.197 0.522 . . . . 0.0 111.52 -176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.55 110.8 21.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.503 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -89.86 141.2 28.87 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 -177.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -127.55 19.73 6.74 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.854 -169.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.339 179.545 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.667 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 33.7 p80 . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.397 0.141 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.3 156.67 44.54 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.506 2.137 . . . . 0.0 110.954 172.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.98 121.94 15.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.807 0.337 . . . . 0.0 111.607 -172.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -123.22 157.44 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -110.01 120.28 41.96 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.798 0.332 . . . . 0.0 110.386 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -109.34 162.79 13.99 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.413 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.2 m -126.08 131.87 52.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.722 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 55.0 mt -90.94 129.29 44.64 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.282 -174.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.561 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 38.5 Cg_exo -57.6 129.44 33.76 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.929 2.419 . . . . 0.0 111.645 174.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -78.95 -21.5 47.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.634 -170.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.79 -24.29 22.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.026 -176.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.561 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 18.4 p -97.54 -45.0 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.62 17.94 46.88 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.741 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' HB3' HG13 ' A' ' 64' ' ' ILE . 27.7 p90 -154.42 151.81 29.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 63' ' ' TYR . 14.1 p -125.52 141.68 44.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.875 0.369 . . . . 0.0 110.772 -176.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -97.05 147.37 24.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.924 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.0 t -116.2 119.82 36.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.738 0.304 . . . . 0.0 110.522 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.84 -3.1 71.12 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.576 175.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.4 -47.86 10.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.459 -0.37 . . . . 0.0 110.676 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 69.7 m -143.81 179.42 7.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.951 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -78.12 11.6 2.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -173.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -78.52 154.51 30.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.017 0.437 . . . . 0.0 111.156 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -149.03 127.85 12.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.506 ' HB2' HG12 ' A' ' 54' ' ' VAL . 52.2 m-85 -107.62 138.11 44.43 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -174.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.411 HG13 ' HB3' ' A' ' 53' ' ' PHE . 15.9 tt -134.18 148.37 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.87 0.367 . . . . 0.0 111.06 -177.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -72.9 146.44 46.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.949 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 67' ' ' SER . 4.1 pt-20 -45.43 -43.82 11.66 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.777 0.831 . . . . 0.0 113.183 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 23.1 t -69.73 -28.69 66.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.981 0.42 . . . . 0.0 111.603 -172.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -89.19 -14.61 35.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.983 0.42 . . . . 0.0 110.509 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.15 -178.111 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.908 0.385 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 57.2 t -102.84 124.93 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.721 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 m -118.29 147.95 21.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.237 0.542 . . . . 0.0 112.022 -174.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.0 m -100.86 -21.83 15.0 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.082 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -89.8 157.41 17.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.038 -175.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -86.56 -12.82 47.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 0.0 110.94 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -121.04 143.03 49.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.599 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 63' ' ' TYR . 3.0 t -133.89 159.22 42.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.13 114.03 20.32 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 42.0 t -98.71 130.04 45.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.47 ' OD1' ' HB2' ' A' ' 42' ' ' ARG . 7.9 t70 -117.21 20.27 13.78 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.528 0.68 . . . . 0.0 110.24 -174.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.404 ' HA2' ' CD2' ' A' ' 40' ' ' HIS . . . . . . . . 0 N--CA 1.446 -0.674 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.562 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.404 ' CD2' ' HA2' ' A' ' 33' ' ' GLY . 34.8 p80 . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.05 153.25 65.58 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.036 2.49 . . . . 0.0 111.723 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.497 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 26.9 ttm180 -63.43 122.37 16.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.134 0.492 . . . . 0.0 111.597 -175.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 44' ' ' TRP . 13.1 p -116.53 163.08 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.41 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.462 ' N ' HG22 ' A' ' 43' ' ' VAL . 94.1 m95 -106.81 111.15 23.54 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.93 -177.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -106.88 171.34 7.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.168 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.6 t -143.41 148.44 36.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.394 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.6 mm -87.5 116.14 65.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.403 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.21 126.73 18.46 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.503 2.136 . . . . 0.0 111.511 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -76.93 -16.78 59.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.499 0.666 . . . . 0.0 109.934 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -80.21 -13.53 59.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.397 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 p -125.81 -53.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.648 0.261 . . . . 0.0 111.512 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.73 9.19 35.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.609 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -158.02 156.78 31.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 63' ' ' TYR . 7.9 p -138.92 146.72 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.016 0.436 . . . . 0.0 110.997 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -118.3 126.06 51.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.429 ' HB3' ' H ' ' A' ' 61' ' ' ARG . 36.3 t -64.31 121.66 14.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.922 0.391 . . . . 0.0 111.711 -174.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.84 -5.54 68.33 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.887 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -80.99 -41.72 22.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 p -133.42 -97.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.495 171.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 179.39 91.92 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.455 0.645 . . . . 0.0 110.388 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.429 ' H ' ' HB3' ' A' ' 56' ' ' CYS . 38.2 ttm180 -137.2 152.79 50.28 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 169.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttm105 -115.72 117.76 31.16 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.53 -172.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.489 ' HB2' HG12 ' A' ' 54' ' ' VAL . 87.1 m-85 -107.31 125.55 51.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.484 -178.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 34.3 mm -116.03 139.99 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.696 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -78.75 142.72 36.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.915 0.388 . . . . 0.0 110.482 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.92 -31.93 60.71 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 t -66.63 -18.25 65.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.744 0.307 . . . . 0.0 111.183 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.89 -13.8 22.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.09 0.471 . . . . 0.0 110.775 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.248 -178.726 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.9 t . . . . . 0 CA--C 1.52 -0.176 0 N-CA-C 110.612 -0.144 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 43.1 t -95.96 119.97 44.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 m -125.07 151.71 30.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 111.634 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 m -90.25 -13.71 34.85 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.123 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.9 p -101.31 143.63 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.234 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -78.68 -31.37 46.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.014 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -100.8 124.23 46.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.862 0.363 . . . . 0.0 110.595 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -123.6 148.05 27.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.603 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.41 109.74 20.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.848 177.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.0 t -92.81 149.93 20.95 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -161.03 75.05 0.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.656 175.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.0 p80 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.62 168.59 19.52 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.795 2.33 . . . . 0.0 112.364 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -55.06 121.18 8.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.689 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 p -120.48 153.45 23.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.431 0.634 . . . . 0.0 109.918 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -111.48 115.2 28.82 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.623 -175.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.9 mt -112.04 159.34 18.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.406 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.1 t -135.73 115.05 12.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.466 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.561 HG12 HG12 ' A' ' 54' ' ' VAL . 66.2 mt -65.86 124.01 86.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.148 -177.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 29.7 Cg_exo -62.51 127.63 21.34 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.813 2.342 . . . . 0.0 111.491 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -70.78 -24.6 62.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.366 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.44 -19.99 51.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.377 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.9 p -102.31 -48.47 4.18 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.915 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.45 2.37 60.28 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -176.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.502 ' HB2' HD13 ' A' ' 64' ' ' ILE . 50.1 p90 -155.34 156.1 34.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.561 HG12 HG12 ' A' ' 47' ' ' ILE . 12.5 p -137.57 140.22 41.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.007 0.432 . . . . 0.0 110.414 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.45 129.79 54.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.605 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 38.2 t -71.28 151.22 44.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -176.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.5 -19.79 31.41 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.893 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -80.05 -30.38 39.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 47.6 t -157.17 169.59 24.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.416 -0.586 . . . . 0.0 109.416 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.6 33.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.157 0.503 . . . . 0.0 111.653 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' H ' ' C ' ' A' ' 59' ' ' CYS . 10.3 mmt85 -73.04 123.46 23.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.476 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -115.14 113.03 23.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.766 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -100.6 120.84 40.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.023 0.44 . . . . 0.0 110.603 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.502 HD13 ' HB2' ' A' ' 53' ' ' PHE . 25.6 mm -109.23 125.62 66.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.453 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -76.4 136.56 39.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -59.98 -17.35 37.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -173.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.4 p -70.18 -38.33 75.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.258 0.551 . . . . 0.0 110.084 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -79.79 -20.94 45.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.77 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.132 -176.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 47.4 t . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.0 t -88.22 125.41 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.392 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.1 m -111.89 143.07 22.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.281 0.562 . . . . 0.0 111.314 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 m -96.97 17.46 16.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.257 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.4 m -147.2 142.01 26.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.416 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -64.07 -34.65 78.5 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.73 0.3 . . . . 0.0 111.196 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -102.14 134.55 45.21 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.34 153.98 33.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.601 -175.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 43' ' ' VAL . . . -109.65 100.53 9.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.46 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.9 t -88.83 151.75 22.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.676 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -159.06 72.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.41 0.624 . . . . 0.0 109.805 -174.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.551 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.436 175.772 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 27.0 p80 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 40' ' ' HIS . 21.6 Cg_exo -66.94 161.24 43.34 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.904 2.403 . . . . 0.0 112.485 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 42' ' ' ARG . 41.2 ttp180 -51.0 120.22 4.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.086 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 44' ' ' TRP . 11.3 p -122.86 163.7 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.297 0.57 . . . . 0.0 110.244 176.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.468 ' N ' HG22 ' A' ' 43' ' ' VAL . 96.0 m95 -113.68 115.62 28.14 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.444 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.9 mt -112.68 164.09 13.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -140.13 128.15 22.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.321 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 68.4 mt -85.23 126.47 67.25 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.115 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 16.3 Cg_exo -68.86 143.91 57.02 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.884 2.389 . . . . 0.0 112.182 176.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -70.36 -35.72 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.642 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.4 pm0 -71.42 -22.24 61.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.637 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.0 p -96.67 -57.53 2.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 111.133 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.55 -8.59 66.43 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.49 ' HB3' HG12 ' A' ' 64' ' ' ILE . 47.5 p90 -142.56 164.91 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.53 137.87 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.155 0.503 . . . . 0.0 111.337 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.85 120.39 34.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.057 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.3 t -67.35 102.71 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.849 0.356 . . . . 0.0 110.5 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.99 44.69 3.05 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -152.89 -49.26 0.1 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 36.6 t -94.93 -89.19 0.24 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.109 177.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 59' ' ' CYS . 38.7 t70 172.49 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -51.9 144.63 11.23 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.451 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -104.62 142.16 35.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.469 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 91.4 m-85 -125.18 144.16 50.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.736 0.303 . . . . 0.0 110.646 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.49 HG12 ' HB3' ' A' ' 53' ' ' PHE . 70.5 mt -129.56 136.89 58.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.351 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -71.02 145.69 49.81 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 110.248 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -52.4 -33.34 43.1 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -176.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.1 t -64.8 -36.31 83.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.152 0.501 . . . . 0.0 110.544 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -81.96 -14.83 55.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.177 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.578 -179.071 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 47.7 t -79.61 127.11 39.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.111 -174.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.403 HG21 HD11 ' A' ' 47' ' ' ILE . 20.4 m -117.11 148.22 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.739 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 t -101.06 -11.87 19.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.391 0.615 . . . . 0.0 109.63 178.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.21 153.32 23.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.914 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.487 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 94.5 m95 -91.53 -26.96 18.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.338 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -95.62 102.31 14.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 30' ' ' ALA . 4.8 t -108.13 163.07 5.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.956 -172.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.406 ' N ' HG12 ' A' ' 29' ' ' VAL . . . -112.01 129.27 56.25 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.27 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 21.9 t -96.48 147.25 24.04 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -160.54 71.52 0.44 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.518 0.675 . . . . 0.0 110.409 -172.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.476 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.936 174.758 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.0 p80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.67 154.25 50.21 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.565 2.177 . . . . 0.0 112.154 177.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 5.2 tmm_? -57.87 131.7 51.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.249 -176.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -130.24 160.91 40.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.03 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -97.63 133.84 41.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.858 0.361 . . . . 0.0 111.414 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -120.92 171.63 8.5 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.143 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.6 t -139.09 126.34 21.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.962 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.72 HG12 ' HB ' ' A' ' 54' ' ' VAL . 56.4 mt -84.74 125.1 71.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.738 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 24.6 Cg_exo -63.81 132.72 36.03 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 122.883 2.388 . . . . 0.0 110.935 173.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.487 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 24.5 m-70 -81.42 -13.72 57.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -165.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -91.81 -27.87 17.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 110.757 -177.708 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 53' ' ' PHE . 2.3 p -91.68 -44.45 9.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.467 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.11 3.06 63.85 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.168 176.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CE2' ' HB ' ' A' ' 51' ' ' THR . 52.7 p90 -138.2 154.43 49.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.72 ' HB ' HG12 ' A' ' 47' ' ' ILE . 7.3 p -116.37 124.32 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.0 110.821 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -92.41 114.06 26.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.03 176.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.4 t -69.01 145.23 53.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.572 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.05 19.2 23.16 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 176.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -129.19 -22.37 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.716 -0.242 . . . . 0.0 111.123 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.6 t -162.1 175.17 12.02 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.426 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -87.17 45.04 1.23 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.928 0.87 . . . . 0.0 109.924 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.674 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 3.9 mmp_? -106.1 115.53 30.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.726 176.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -114.83 130.46 56.88 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.094 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -115.62 140.5 49.12 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 42.6 mm -116.36 127.73 73.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.036 -176.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -68.55 145.49 53.94 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -53.02 -32.65 47.81 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.9 t -70.99 -32.74 69.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 -178.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.441 ' HD2' HG23 ' A' ' 64' ' ' ILE . 55.5 t80 -88.93 -17.15 30.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.404 0.621 . . . . 0.0 109.771 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.635 -178.871 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.41 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 56.6 t . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.929 0.395 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.1 t -92.05 131.92 37.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.984 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.464 HG21 HD11 ' A' ' 47' ' ' ILE . 15.4 m -117.41 146.03 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.439 0.637 . . . . 0.0 111.458 -177.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.8 t -105.49 -0.58 25.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.914 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.7 p -108.85 131.37 55.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.538 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -66.02 -22.99 66.48 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-O 121.061 0.458 . . . . 0.0 110.532 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -108.01 124.41 50.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.516 HG21 HG11 ' A' ' 54' ' ' VAL . 13.7 m -111.02 127.07 68.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.04 0.448 . . . . 0.0 110.94 -175.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.432 ' HB1' ' HD2' ' A' ' 42' ' ' ARG . . . -94.57 99.99 12.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.63 177.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.8 t -86.69 127.0 34.93 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.383 0.611 . . . . 0.0 109.973 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -120.82 5.01 10.5 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.163 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.716 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.485 -178.57 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 59' ' ' CYS . 23.7 p80 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.486 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 72.1 Cg_exo -50.64 134.06 39.53 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.222 1.948 . . . . 0.0 110.926 171.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.434 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 49.4 ttp180 -65.15 129.5 39.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.143 0.497 . . . . 0.0 111.493 -171.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.9 t -119.98 150.35 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.449 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -109.5 108.44 18.92 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.916 0.388 . . . . 0.0 110.708 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HB2' HG23 ' A' ' 29' ' ' VAL . 71.8 mt -106.68 170.25 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.61 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.6 t -132.85 140.9 48.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.953 0.406 . . . . 0.0 110.245 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.464 HD11 HG21 ' A' ' 24' ' ' VAL . 64.3 mt -82.46 128.25 67.66 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.98 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 25.6 Cg_exo -62.58 142.99 92.01 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.521 2.148 . . . . 0.0 110.664 174.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -90.37 -0.59 57.71 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 -164.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -108.19 -28.85 9.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.31 0.576 . . . . 0.0 110.337 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 6.7 p -86.37 -52.44 5.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.093 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.44 11.9 60.36 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.811 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -146.45 154.28 41.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.546 -0.384 . . . . 0.0 110.692 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.516 HG11 HG21 ' A' ' 29' ' ' VAL . 7.2 p -129.7 130.56 66.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.394 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -106.57 92.68 4.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.109 0.481 . . . . 0.0 110.276 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.47 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 15.2 m -67.07 106.8 2.07 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.426 178.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.72 -4.1 90.3 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.787 -0.721 . . . . 0.0 113.138 -175.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.33 -40.81 77.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.052 0.453 . . . . 0.0 110.636 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 11.6 t -124.21 -9.19 7.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.539 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 73.73 69.95 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.138 -174.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.47 ' HB2' ' HB2' ' A' ' 56' ' ' CYS . 40.3 mmt180 -125.59 120.13 29.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.581 -178.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -105.46 105.07 14.94 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.41 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 23.6 m-85 -101.19 134.1 44.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.41 -178.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.466 HG23 ' HD2' ' A' ' 68' ' ' PHE . 50.8 mm -101.33 126.41 55.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.563 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -71.47 146.63 48.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -52.51 -38.04 58.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.165 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.3 t -70.1 -31.76 69.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.873 0.368 . . . . 0.0 110.67 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.466 ' HD2' HG23 ' A' ' 64' ' ' ILE . 34.2 t80 -82.39 -17.8 44.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.009 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.608 178.173 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.45 -0.436 0 CA-C-O 120.861 0.362 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.49 125.08 42.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.921 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.9 m -123.71 156.11 30.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 121.282 0.563 . . . . 0.0 111.293 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 t -115.17 -3.92 12.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.182 176.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -94.84 134.0 37.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.446 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.52 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 99.0 m95 -78.69 -31.25 46.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 19.2 ptpt -99.17 106.65 18.85 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 170.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.64 151.92 4.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.102 0.477 . . . . 0.0 110.613 -173.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.38 103.25 9.95 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.252 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.3 t -83.9 124.84 31.41 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.18 -20.82 12.54 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.259 -169.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.54 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.815 -175.057 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.429 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 16.2 p80 . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 53.1 Cg_exo -53.53 143.55 55.45 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.248 1.966 . . . . 0.0 111.194 172.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -64.44 115.09 4.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.568 0.223 . . . . 0.0 110.723 -174.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.4 t -109.13 156.07 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -109.95 129.59 55.64 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.153 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -112.29 159.9 18.18 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.916 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.5 t -125.2 112.58 16.6 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.815 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 51.9 mt -84.53 124.13 73.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.438 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 23.5 Cg_exo -64.81 136.06 47.46 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.76 2.307 . . . . 0.0 111.353 176.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.52 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 20.4 m-70 -74.37 -16.04 60.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.26 -171.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.48 6.43 42.38 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.687 -178.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 p -122.14 -65.16 1.14 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.631 0.253 . . . . 0.0 110.644 175.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.09 23.03 23.66 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.856 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -152.9 153.71 33.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.778 -0.248 . . . . 0.0 110.416 178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.79 145.18 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.958 0.409 . . . . 0.0 110.479 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.62 138.46 40.93 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.74 122.94 18.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.074 0.464 . . . . 0.0 110.854 -176.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.73 43.01 3.1 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.753 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -162.81 -49.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.1 t -108.29 166.55 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.913 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -80.26 -2.25 44.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.13 0.49 . . . . 0.0 111.282 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -80.79 153.21 27.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.372 0.606 . . . . 0.0 111.929 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -126.4 150.35 48.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.938 -173.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -126.71 132.39 51.15 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.992 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.6 mm -125.21 130.04 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.859 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -69.58 145.53 52.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.38 -30.9 42.27 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.6 t -72.89 -23.09 60.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.709 0.29 . . . . 0.0 111.12 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -93.47 -12.38 29.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.097 0.475 . . . . 0.0 110.317 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.979 -176.383 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.419 ' HB ' ' HD1' ' A' ' 63' ' ' TYR . 47.0 t . . . . . 0 N--CA 1.447 -0.575 0 CA-C-O 120.81 0.338 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -85.34 124.93 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.03 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.2 m -123.9 157.74 30.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.896 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -108.87 -8.83 15.21 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.279 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 m -106.87 141.65 37.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.205 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -82.76 -47.02 12.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.999 0.428 . . . . 0.0 109.987 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -90.56 100.04 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.8 m -108.01 146.11 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.758 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.08 102.55 15.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.398 174.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.8 t -71.06 156.34 39.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.544 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -174.16 89.84 0.07 Allowed 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -166.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.566 0 CA-C-N 114.276 -1.329 . . . . 0.0 115.694 -177.926 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.8 p80 . . . . . 0 C--O 1.234 0.27 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.53 158.17 13.56 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.792 2.328 . . . . 0.0 112.209 175.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -72.27 124.72 25.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.292 0.568 . . . . 0.0 111.331 -174.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.8 t -123.73 160.85 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.343 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -106.45 125.28 50.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.712 0.291 . . . . 0.0 110.718 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.5 mt -115.28 167.64 10.67 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.5 m -143.36 113.2 7.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.927 0.394 . . . . 0.0 110.377 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.452 HG12 ' CG1' ' A' ' 54' ' ' VAL . 49.2 mt -77.9 126.83 83.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.627 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -62.3 134.88 50.9 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.686 2.257 . . . . 0.0 111.689 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -75.8 -18.02 59.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.109 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -84.99 -17.85 36.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.312 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 p -99.81 -55.47 2.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.762 0.315 . . . . 0.0 111.108 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.45 -5.26 60.48 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 121.121 -0.562 . . . . 0.0 111.949 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -149.47 162.73 39.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.452 ' CG1' HG12 ' A' ' 47' ' ' ILE . 12.0 p -148.59 143.58 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.836 0.35 . . . . 0.0 110.479 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.74 132.88 42.97 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 48.5 t -76.95 135.05 38.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.836 0.35 . . . . 0.0 110.352 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.44 38.69 3.0 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.776 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -154.81 -56.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.8 t -99.43 166.89 10.96 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -91.78 -7.09 50.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.204 0.526 . . . . 0.0 110.628 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.59 125.61 25.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.95 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -100.65 139.91 35.67 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.419 ' HD1' ' HB ' ' A' ' 22' ' ' VAL . 19.9 m-85 -111.27 131.58 55.03 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.725 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.672 HD11 ' HD2' ' A' ' 68' ' ' PHE . 14.3 tt -134.26 139.94 47.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.941 177.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -75.89 140.72 42.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -58.53 -29.72 66.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -174.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.8 p -69.68 -25.4 63.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 110.818 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.672 ' HD2' HD11 ' A' ' 64' ' ' ILE . 38.1 t80 -75.29 -22.81 57.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.042 0.449 . . . . 0.0 110.468 -176.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 -178.885 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.592 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 45.0 t . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.745 0.307 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.6 t -89.69 127.73 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.361 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.457 HG21 HD11 ' A' ' 47' ' ' ILE . 25.3 m -110.18 145.32 16.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.636 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.8 t -106.95 -8.69 16.52 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.381 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.5 p -119.74 153.55 35.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.172 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -79.25 -10.38 59.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.239 0.543 . . . . 0.0 111.279 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -134.78 130.08 35.57 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.42 178.67 5.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.327 0.584 . . . . 0.0 111.672 -169.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.11 118.81 26.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.19 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 42.4 t -83.62 133.34 34.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -116.61 3.29 13.11 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.155 -170.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.452 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.399 178.504 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.0 p80 . . . . . 0 C--O 1.235 0.291 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.67 151.62 84.23 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.473 2.115 . . . . 0.0 111.23 172.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 21.9 ttm180 -59.56 125.01 21.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.005 0.431 . . . . 0.0 111.848 -174.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.3 t -120.46 157.95 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.501 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -100.21 128.55 46.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.387 0.275 . . . . 0.0 110.55 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -122.5 164.09 18.73 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.821 0.343 . . . . 0.0 111.001 -177.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.3 t -129.67 122.79 29.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.478 HG12 ' HB ' ' A' ' 54' ' ' VAL . 65.7 mt -75.35 123.03 88.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.278 -175.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 38.5 Cg_exo -60.22 117.41 4.16 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.899 2.399 . . . . 0.0 111.937 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -75.12 -0.58 19.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.2 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.1 -37.51 78.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.232 0.539 . . . . 0.0 110.555 176.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.9 p -119.06 -42.15 2.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.575 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.39 6.7 44.2 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.246 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -124.59 147.59 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.559 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 6.8 p -113.22 116.84 53.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.552 0.692 . . . . 0.0 110.723 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -96.23 116.21 28.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.084 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 36.1 t -79.93 138.51 37.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.797 0.332 . . . . 0.0 110.825 -177.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -101.59 -6.2 50.48 Favored Glycine 0 N--CA 1.451 -0.32 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.89 -39.01 17.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.9 0.381 . . . . 0.0 110.881 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.7 p -148.55 -178.92 6.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.418 -175.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -84.01 42.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.289 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.493 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 20.6 mmt180 -100.95 130.51 46.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.298 -178.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -128.22 120.52 27.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.842 172.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.592 ' CD2' ' HB ' ' A' ' 22' ' ' VAL . 91.5 m-85 -110.58 134.1 52.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.973 0.416 . . . . 0.0 110.926 -176.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.7 mm -109.77 124.94 66.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.559 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -72.49 138.23 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -53.9 -30.5 46.39 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 123.413 0.446 . . . . 0.0 112.182 -177.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.9 t -69.73 -25.79 64.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.372 . . . . 0.0 110.795 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -104.35 -3.43 24.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.297 0.57 . . . . 0.0 110.102 179.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.62 -179.393 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.665 0.269 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.3 t -103.43 126.04 57.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.322 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 65' ' ' HIS . 15.7 m -136.5 158.2 37.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.048 0.451 . . . . 0.0 111.364 -175.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.9 t -104.24 -20.54 13.75 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 28' ' ' LYS . 8.2 m -72.65 132.88 44.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.151 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' A' ' 46' ' ' SER . 99.9 m95 -82.98 -12.3 57.4 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.774 0.286 . . . . 0.0 111.774 -175.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' H ' HG22 ' A' ' 26' ' ' THR . 90.6 mttt -132.56 124.12 27.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.8 0.333 . . . . 0.0 110.807 176.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.51 157.3 32.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.051 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.23 109.96 22.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.4 t -95.18 125.15 39.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.31 0.576 . . . . 0.0 109.693 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -138.3 20.73 2.77 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.553 -173.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.743 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.931 -175.373 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.4 p80 . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.435 ' O ' HG23 ' A' ' 43' ' ' VAL . 64.7 Cg_exo -52.58 138.1 58.08 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.501 2.134 . . . . 0.0 111.948 175.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.498 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 23.8 ttp180 -57.94 119.71 7.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.359 0.6 . . . . 0.0 112.378 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 41' ' ' PRO . 12.2 t -125.7 157.96 34.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.29 177.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -107.93 109.83 21.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.842 0.353 . . . . 0.0 110.311 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.1 162.3 13.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.536 -176.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 6.7 t -125.6 146.47 49.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.191 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.552 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 56.5 mt -80.73 120.86 80.25 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.538 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.36 124.7 15.7 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.656 2.237 . . . . 0.0 111.43 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -76.66 -6.74 53.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.685 -175.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.457 ' HG3' HG23 ' A' ' 51' ' ' THR . 13.8 pt-20 -83.52 -25.1 31.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.823 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.515 ' HB ' ' CE1' ' A' ' 53' ' ' PHE . 7.9 p -111.21 -50.0 2.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.508 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.87 6.61 42.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.811 -176.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.515 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 42.9 p90 -153.11 155.55 36.98 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.552 ' HB ' ' HA ' ' A' ' 47' ' ' ILE . 5.7 p -125.8 122.11 61.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.357 0.598 . . . . 0.0 111.35 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.31 122.9 38.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.891 172.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 51.9 t -63.85 134.1 54.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.885 0.374 . . . . 0.0 110.416 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.21 -1.69 88.31 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.608 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -104.67 -32.49 8.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.804 0.335 . . . . 0.0 111.09 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 48.5 t -155.65 168.01 28.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -78.98 39.57 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.938 0.875 . . . . 0.0 111.07 -176.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HD3' ' HA ' ' A' ' 61' ' ' ARG . 20.0 mmt180 -78.85 112.29 15.85 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 170.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -119.51 113.21 20.4 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.29 -170.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -103.91 131.81 50.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.814 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.501 HD13 ' HB2' ' A' ' 53' ' ' PHE . 15.8 mm -113.46 137.83 45.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.834 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 50.5 t-80 -74.12 145.42 44.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 67' ' ' SER . 13.8 pt-20 -52.03 -39.34 59.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.232 -177.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 16.4 t -80.26 -16.98 53.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.601 0.239 . . . . 0.0 111.233 -173.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -90.77 -22.7 20.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 109.758 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.253 -179.654 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 C--O 1.235 0.311 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.24 122.92 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.215 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.8 m -121.3 154.08 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.224 0.535 . . . . 0.0 111.551 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 m -97.97 -6.89 31.13 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.323 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 m -109.6 129.02 55.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.344 -176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -71.69 -41.84 68.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.904 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -111.66 112.01 23.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.224 0.535 . . . . 0.0 110.054 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.9 m -122.33 155.88 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.53 -172.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.81 116.79 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.97 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.7 t -96.08 138.39 33.77 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -128.85 11.87 6.17 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.583 0.706 . . . . 0.0 110.254 -172.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.527 -179.042 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.1 p80 . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.453 ' O ' HG23 ' A' ' 43' ' ' VAL . 50.7 Cg_exo -54.74 146.47 55.0 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.174 1.916 . . . . 0.0 111.049 173.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -64.59 115.52 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 41' ' ' PRO . 10.9 t -115.75 156.92 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.045 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -105.79 119.01 38.05 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.877 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -105.0 165.62 10.95 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.663 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.1 t -139.12 113.25 8.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.48 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.5 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 68.5 mt -75.3 121.18 84.67 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.457 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.44 123.97 14.16 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.413 2.075 . . . . 0.0 111.341 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -71.56 -17.63 62.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.422 -176.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -88.57 -3.87 58.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.003 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.9 m -117.48 -46.03 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.13 -26.34 24.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.406 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -136.83 156.47 48.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 63' ' ' TYR . 14.0 p -111.44 134.37 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.041 0.448 . . . . 0.0 110.548 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -101.65 109.07 20.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 42.4 t -76.84 143.46 39.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.136 0.493 . . . . 0.0 111.031 -176.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.37 -16.34 57.34 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.943 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -84.53 -29.95 25.52 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.683 0.278 . . . . 0.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 33.8 t -156.36 160.61 39.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -86.81 32.42 0.67 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.83 0.824 . . . . 0.0 110.628 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -82.27 118.48 23.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.15 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -91.63 112.3 24.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.655 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.506 ' HB2' HG12 ' A' ' 54' ' ' VAL . 93.3 m-85 -103.59 111.57 24.1 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.593 HD11 ' HD2' ' A' ' 68' ' ' PHE . 11.0 tt -113.55 136.5 49.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.806 0.336 . . . . 0.0 110.174 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -76.31 141.73 41.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -60.29 -19.25 54.2 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -175.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.0 t -64.39 -35.67 81.65 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.593 ' HD2' HD11 ' A' ' 64' ' ' ILE . 12.9 t80 -78.79 -19.18 52.8 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.338 0.589 . . . . 0.0 109.696 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.68 179.241 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.4 t -93.25 127.41 45.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.232 -177.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 65' ' ' HIS . 17.2 m -137.11 153.6 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.5 m -102.84 7.93 39.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.511 0.672 . . . . 0.0 109.717 173.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.0 m -105.8 135.05 47.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.571 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -88.72 -56.18 3.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.892 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -81.97 112.3 18.94 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 m -122.08 138.04 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-O 121.116 0.484 . . . . 0.0 111.282 -173.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.25 101.0 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.911 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -84.68 142.89 29.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -138.83 24.21 2.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.736 0.779 . . . . 0.0 109.233 -173.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.768 -176.927 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.5 p80 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.09 171.47 7.55 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.816 2.344 . . . . 0.0 112.204 176.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -66.43 119.31 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.88 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -119.49 152.37 22.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -97.8 112.27 24.24 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.451 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.08 163.29 15.38 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.2 t -140.14 117.71 11.53 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.981 0.42 . . . . 0.0 110.103 178.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.483 HG12 ' CG1' ' A' ' 54' ' ' VAL . 58.5 mt -68.82 122.86 86.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.742 176.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 6.4 Cg_endo -50.44 131.38 32.1 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.721 2.281 . . . . 0.0 111.644 178.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -79.31 6.54 9.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.945 -166.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -124.01 -34.86 2.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.833 -174.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.47 -43.25 12.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.729 0.299 . . . . 0.0 110.911 178.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.543 ' HA3' ' CD2' ' A' ' 68' ' ' PHE . . . 89.3 15.22 59.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.781 172.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -149.27 154.75 39.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.483 ' CG1' HG12 ' A' ' 47' ' ' ILE . 14.5 p -143.85 135.41 22.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.313 0.578 . . . . 0.0 110.726 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -103.89 115.74 31.01 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 46.2 t -58.98 105.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 111.305 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.57 44.62 3.25 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.389 -0.685 . . . . 0.0 111.389 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -149.48 -44.67 0.14 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 50.8 t -102.02 -83.39 0.46 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.391 175.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 59' ' ' CYS . 24.9 t70 169.34 -35.5 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.702 0.626 . . . . 0.0 110.212 -178.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -60.17 144.76 49.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.75 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -103.52 142.14 34.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -121.42 144.28 48.76 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -141.7 147.61 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.937 0.399 . . . . 0.0 111.242 -178.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 44.6 t-80 -77.75 148.53 34.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.109 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -58.27 -32.84 68.78 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -175.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 t -68.84 -31.78 71.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.167 0.508 . . . . 0.0 110.83 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.543 ' CD2' ' HA3' ' A' ' 52' ' ' GLY . 97.0 m-85 -96.5 -7.0 35.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.11 0.481 . . . . 0.0 111.346 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.532 -176.713 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.435 ' CG1' ' HA ' ' A' ' 66' ' ' GLU . 47.3 t -88.89 122.14 39.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.451 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 m -128.1 148.23 32.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.473 0.654 . . . . 0.0 111.637 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 p -91.36 -7.92 49.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.137 176.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 m -98.13 137.87 36.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.33 -177.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -81.29 -39.5 25.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.912 0.387 . . . . 0.0 110.425 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -96.0 114.34 26.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.716 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 45' ' ' LEU . 12.0 m -116.69 130.94 70.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.318 0.58 . . . . 0.0 111.164 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.11 104.59 17.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.58 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 t -82.23 139.41 34.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -178.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -127.95 13.69 6.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.477 -173.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-N 115.678 -0.692 . . . . 0.0 113.21 177.124 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.537 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 25.9 p80 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.537 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 30.4 Cg_endo -63.03 167.16 12.79 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.504 2.136 . . . . 0.0 112.053 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 ttm105 -56.04 118.69 4.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.685 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 t -119.99 157.15 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -108.81 116.93 32.93 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.066 0.46 . . . . 0.0 111.14 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.525 ' HB2' HG23 ' A' ' 29' ' ' VAL . 89.9 mt -114.83 162.52 16.77 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.0 t -140.0 129.74 24.52 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.5 mt -71.99 114.3 27.82 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.528 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.64 135.37 35.7 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.49 2.127 . . . . 0.0 111.535 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -74.38 0.38 14.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.255 0.55 . . . . 0.0 110.047 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HG3' HG23 ' A' ' 51' ' ' THR . 11.7 pt-20 -97.76 -13.99 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.966 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.465 HG23 ' HG3' ' A' ' 50' ' ' GLU . 32.2 p -120.54 -48.74 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 111.758 -177.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.0 -6.03 53.74 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.648 -0.786 . . . . 0.0 111.995 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -158.03 167.01 31.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.2 p -139.92 138.25 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.941 0.401 . . . . 0.0 110.593 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -106.15 134.47 49.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.713 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.7 t -75.02 146.52 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.352 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -95.98 -17.82 33.85 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.149 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -90.87 -57.77 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.355 0.598 . . . . 0.0 110.427 177.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -103.06 167.96 9.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.58 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.53 6.11 39.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.013 0.435 . . . . 0.0 110.8 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -73.28 148.59 43.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.318 -178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 62' ' ' ARG . 13.8 ttm180 -122.99 147.1 47.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.169 -175.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -125.95 122.65 36.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.6 mt -122.84 142.99 37.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.383 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.85 143.66 55.66 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.018 0.437 . . . . 0.0 111.045 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.435 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 8.7 pt-20 -48.76 -39.74 26.13 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.222 -0.899 . . . . 0.0 113.407 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 71.1 m -70.42 -17.82 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -173.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -81.06 -22.52 39.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.231 0.538 . . . . 0.0 110.297 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.579 -176.958 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 C--O 1.237 0.425 0 CA-C-O 120.602 0.239 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 46.8 t -87.92 118.45 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.9 m -118.77 156.12 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.028 -172.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -105.97 -3.04 22.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.897 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -107.61 134.79 50.1 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.043 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -80.06 -35.06 37.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 110.957 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 45' ' ' LEU . 30.3 mtpp -96.85 105.77 17.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 176.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.72 138.23 31.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.157 0.503 . . . . 0.0 111.502 -174.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.59 103.29 15.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.623 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 36.3 t -103.54 139.68 38.54 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.093 0.473 . . . . 0.0 110.459 -176.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -135.66 19.77 3.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.172 0.987 . . . . 0.0 108.525 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.664 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.912 -172.759 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.566 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 32.2 p80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.481 ' O ' HG23 ' A' ' 43' ' ' VAL . 35.3 Cg_exo -60.47 156.25 42.66 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.536 2.157 . . . . 0.0 111.763 175.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 2.3 ttp180 -57.07 115.19 2.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.121 0.486 . . . . 0.0 111.888 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 41' ' ' PRO . 11.3 t -120.72 155.29 24.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.458 176.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -110.02 103.24 11.95 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.2 mt -92.2 172.09 8.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.76 -174.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 m -135.88 109.38 7.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.689 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.2 mt -72.4 127.45 90.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.698 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.36 132.16 47.13 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.547 2.165 . . . . 0.0 111.768 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -79.52 -18.32 52.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.381 -175.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -93.08 6.69 47.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.346 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.0 p -118.84 -56.47 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.742 0.306 . . . . 0.0 111.149 176.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.99 0.34 54.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.864 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -166.68 163.54 16.72 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.8 p -166.43 145.52 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.74 0.305 . . . . 0.0 110.704 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 2.4 mp0 -77.98 158.62 29.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 173.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.0 t -73.71 138.07 44.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.18 -12.29 79.55 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.091 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -110.64 -24.83 10.29 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.566 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 93.8 m -138.96 162.83 33.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.332 0.587 . . . . 0.0 112.152 -176.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.06 -31.89 73.13 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 114.708 -1.133 . . . . 0.0 113.612 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -65.58 150.06 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.416 0.627 . . . . 0.0 112.191 -172.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 62' ' ' ARG . 42.8 ttm105 -120.12 145.84 46.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.895 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -111.74 147.76 34.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.249 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 67.3 mt -125.92 137.51 57.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.018 -173.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -83.87 146.78 27.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.442 177.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 67' ' ' SER . 7.6 pt-20 -45.05 -39.81 6.1 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 50.8 m -75.83 -4.08 38.7 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -172.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -93.28 -28.92 15.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.912 0.387 . . . . 0.0 110.21 175.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.688 -174.543 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ppp? . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.809 0.337 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -85.64 103.5 14.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.304 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -101.04 154.48 18.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.259 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 79.1 mt-30 -74.06 115.93 47.44 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 120.957 0.408 . . . . 0.0 110.197 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 4' ' ' GLN . 31.7 Cg_exo -58.59 131.68 43.87 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.102 2.535 . . . . 0.0 112.729 -175.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -90.93 111.73 23.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.03 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -89.32 91.92 8.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.414 0.626 . . . . 0.0 110.786 -176.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -97.1 99.55 11.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.988 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -92.58 7.52 42.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.062 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -76.04 107.55 8.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.549 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.7 m -127.86 99.37 5.5 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.85 130.0 41.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.26 -175.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -151.36 122.97 7.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.948 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 64.1 mtt -103.29 110.49 22.49 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.434 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -90.98 50.94 1.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.504 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' ' 18' ' ' ALA . 25.9 mt 64.15 164.51 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.613 0.765 . . . . 0.0 110.845 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 16' ' ' ILE . 11.5 pt-20 -140.26 21.95 2.4 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.409 -173.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.505 ' H ' HG22 ' A' ' 16' ' ' ILE . . . -149.63 89.42 4.73 Favored Pre-proline 0 C--N 1.313 -0.983 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.095 -175.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -96.43 150.67 1.2 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.254 2.636 . . . . 0.0 110.877 169.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.08 96.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.579 0.704 . . . . 0.0 110.377 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 85.5 m -138.48 139.66 38.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.541 -174.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.523 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 48.9 t -113.4 131.1 66.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.009 176.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -86.97 123.94 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.931 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.2 m -119.58 153.73 22.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.285 0.564 . . . . 0.0 111.578 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -102.57 -3.82 26.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.289 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.8 m -119.39 130.99 55.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.428 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -66.84 -29.28 69.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.731 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -97.13 113.87 25.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -113.24 150.86 15.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.994 0.426 . . . . 0.0 110.525 -176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.7 104.68 14.44 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.606 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 13.0 t -92.62 155.79 17.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.859 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -171.45 84.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -173.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.51 ' HA2' ' HA2' ' A' ' 39' ' ' GLY . . . 103.98 -153.61 17.76 Favored Glycine 0 C--N 1.314 -0.674 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.423 173.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.67 -144.06 6.43 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.087 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.84 170.04 8.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.95 -125.52 39.22 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.866 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.99 11.75 31.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.176 0.512 . . . . 0.0 110.715 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.7 mt -83.43 120.61 26.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.399 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.51 ' HA2' ' HA2' ' A' ' 33' ' ' GLY . . . -153.29 145.14 12.29 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.991 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.65 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 34.8 p80 -155.49 157.26 31.56 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.62 171.13 11.23 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.504 2.136 . . . . 0.0 112.302 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 39.2 ttm180 -63.09 121.51 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.619 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -129.02 154.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -106.75 119.58 39.71 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.181 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.0 mt -110.71 159.24 17.79 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.226 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.6 t -124.08 120.99 33.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.843 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.734 HG12 HG12 ' A' ' 54' ' ' VAL . 59.4 mt -80.91 121.69 81.15 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.397 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.475 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 31.6 Cg_exo -60.84 124.46 15.0 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.669 2.246 . . . . 0.0 111.246 176.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -72.15 -28.16 63.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 -170.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.9 pm0 -92.85 5.73 50.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.234 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.475 ' HB ' ' HB2' ' A' ' 48' ' ' PRO . 17.0 m -115.36 -39.11 3.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.38 -37.21 3.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.354 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.517 ' HB3' HG13 ' A' ' 64' ' ' ILE . 37.5 p90 -148.0 166.31 28.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.754 0.311 . . . . 0.0 110.927 -178.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.734 HG12 HG12 ' A' ' 47' ' ' ILE . 10.4 p -143.33 143.91 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.109 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -99.31 149.34 23.23 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.516 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 52.9 t -74.58 137.87 42.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.62 -13.56 81.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.342 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -104.91 -61.05 1.52 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.103 0.478 . . . . 0.0 110.818 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.65 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 74.9 m -97.35 155.27 16.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.012 -176.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.34 8.05 12.36 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -80.32 129.88 34.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.053 0.454 . . . . 0.0 110.25 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' A' ' 21' ' ' THR . 5.6 tmm_? -103.6 143.66 32.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.926 -177.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.523 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 94.0 m-85 -117.63 135.88 53.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.284 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.633 HD11 ' HD2' ' A' ' 68' ' ' PHE . 15.1 tt -137.37 144.36 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.648 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -73.09 144.3 47.06 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -53.77 -33.46 55.94 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -176.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.3 t -67.78 -33.44 74.82 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 -177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.633 ' HD2' HD11 ' A' ' 64' ' ' ILE . 7.6 t80 -88.22 -14.96 37.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.224 0.535 . . . . 0.0 110.031 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.15 -37.67 14.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.261 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.81 13.75 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.58 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.19 124.51 29.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.056 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -79.31 69.36 5.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 122.186 0.993 . . . . 0.0 110.302 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.9 mt -134.33 160.26 38.46 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 113.943 -1.48 . . . . 0.0 109.385 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -80.78 101.44 9.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.183 0.516 . . . . 0.0 111.203 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -85.4 71.08 10.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.82 77.61 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.086 -176.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -151.08 75.16 1.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -105.89 -47.53 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.29 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -147.29 146.37 29.71 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.118 176.761 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.9 ttp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.79 0.329 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -99.43 110.95 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -82.87 113.18 20.31 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.162 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.37 98.08 49.83 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -63.32 118.46 5.38 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.86 2.373 . . . . 0.0 112.591 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 34.7 mmtt -122.43 129.24 51.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.828 176.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 p -109.49 158.41 18.0 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.3 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -142.88 92.11 2.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.579 0.704 . . . . 0.0 109.808 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -106.33 133.3 51.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.88 -173.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -118.8 102.63 8.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.587 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.8 m -138.33 31.32 2.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.98 0.419 . . . . 0.0 111.261 -177.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.48 105.55 5.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.501 ' NE ' ' HA ' ' A' ' 13' ' ' ARG . 4.3 mmp_? -115.98 -14.99 11.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.523 -175.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 87.2 mtp -115.7 153.24 31.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.835 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t 66.1 80.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.687 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.582 ' H ' HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -100.86 159.88 3.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 174.662 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -157.5 167.78 29.2 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -175.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -59.39 115.61 13.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 123.37 0.418 . . . . 0.0 110.806 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 16.5 Cg_exo -67.18 145.61 73.32 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.032 2.488 . . . . 0.0 112.632 -176.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.655 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 25.3 tp10 -109.01 102.31 11.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.76 177.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -130.52 133.92 46.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.296 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.98 137.74 48.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.174 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.4 t -95.26 121.56 45.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 174.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.05 147.55 26.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.281 0.562 . . . . 0.0 111.863 -174.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.8 m -103.04 -17.61 15.35 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.029 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.1 p -93.58 154.45 17.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.51 -176.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -79.65 -55.39 5.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.586 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -94.87 121.66 36.69 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -116.62 152.15 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.07 106.32 18.54 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.723 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 41.6 t -89.85 141.88 28.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -135.8 26.56 3.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.618 0.723 . . . . 0.0 110.551 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.5 -149.89 19.44 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.766 -0.73 . . . . 0.0 113.449 174.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -171.76 -127.38 0.95 Allowed Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -74.33 170.93 14.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.679 0.276 . . . . 0.0 111.438 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.71 79.19 0.59 Allowed Glycine 0 C--N 1.334 0.422 0 CA-C-N 116.041 -0.527 . . . . 0.0 113.156 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 170.8 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.894 -1.153 . . . . 0.0 108.501 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.62 ' HB3' ' HB2' ' A' ' 59' ' ' CYS . 78.5 mt -116.96 33.98 5.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.84 -177.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.74 142.5 16.02 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.609 -177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.545 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 33.8 p80 -166.18 162.97 12.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 63.4 Cg_endo -73.01 177.24 8.01 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.407 2.071 . . . . 0.0 112.614 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 41.0 ttm180 -61.15 115.24 3.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.593 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.613 HG22 ' H ' ' A' ' 44' ' ' TRP . 9.9 p -122.6 169.81 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.049 176.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.613 ' H ' HG22 ' A' ' 43' ' ' VAL . 99.0 m95 -107.62 110.63 22.56 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.095 -176.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -105.15 165.73 10.89 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 t -147.85 129.51 15.08 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.571 HD13 HG12 ' A' ' 54' ' ' VAL . 46.2 mm -69.1 114.46 23.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.537 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.557 ' HD3' ' HB ' ' A' ' 54' ' ' VAL . 35.7 Cg_exo -60.82 125.99 18.58 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.728 2.285 . . . . 0.0 111.531 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -75.76 -5.81 47.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.258 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -107.19 5.39 27.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.574 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.444 ' HB ' ' HB2' ' A' ' 48' ' ' PRO . 11.5 m -135.46 -53.25 0.77 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -174.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.95 -19.4 35.4 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.144 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' HB2' HD13 ' A' ' 64' ' ' ILE . 48.0 p90 -149.76 163.13 38.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.571 HG12 HD13 ' A' ' 47' ' ' ILE . 11.3 p -155.21 148.62 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.203 0.525 . . . . 0.0 111.361 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -120.17 154.48 34.73 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.31 156.99 18.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.046 0.451 . . . . 0.0 111.104 -174.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.72 -19.54 47.67 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.574 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -84.98 -22.1 29.26 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.415 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.62 ' HB2' ' HB3' ' A' ' 38' ' ' LEU . 13.4 p -154.52 145.4 22.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.602 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' H ' HD22 ' A' ' 38' ' ' LEU . 5.3 m-20 -78.21 34.22 0.2 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.677 -178.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.655 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 34.3 ttt180 -86.68 137.8 32.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -110.3 132.05 54.51 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.483 -176.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -114.25 120.25 39.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.899 0.38 . . . . 0.0 110.276 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.422 HD13 ' HB2' ' A' ' 53' ' ' PHE . 35.2 mm -113.12 132.05 63.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.717 -177.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -69.68 143.33 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -52.53 -30.93 33.05 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -71.02 -18.45 62.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.699 0.285 . . . . 0.0 111.167 -176.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -103.33 -12.9 16.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.347 0.594 . . . . 0.0 110.508 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.85 57.83 1.01 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.208 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 64.76 17.26 10.88 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.927 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 68.0 -171.28 0.19 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.668 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -133.14 163.4 29.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.616 -176.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.8 136.22 57.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 111.268 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -85.39 108.41 17.83 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.095 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -147.16 117.0 7.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.09 0.472 . . . . 0.0 111.335 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -147.43 177.46 9.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.098 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -102.35 141.4 35.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.959 0.409 . . . . 0.0 110.631 -177.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -153.2 148.89 27.41 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.204 -177.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -152.53 168.02 26.92 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.3 p80 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.439 179.066 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.541 ' HG3' ' H ' ' A' ' 3' ' ' ARG . 47.3 tpp . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -90.03 4.61 49.68 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -172.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.541 ' H ' ' HG3' ' A' ' 1' ' ' MET . 38.3 mtm180 -80.32 91.72 5.69 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 171.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.529 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 75.2 mt-30 -122.31 170.17 8.34 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.294 -173.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 4' ' ' GLN . 75.5 Cg_exo -50.8 104.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.048 2.499 . . . . 0.0 114.036 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -98.11 114.29 26.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.707 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.7 t -170.33 159.61 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.013 0.435 . . . . 0.0 111.07 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -151.84 113.09 4.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.032 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -77.41 157.55 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.119 0.485 . . . . 0.0 111.089 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -99.41 137.69 37.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m 60.26 92.11 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 O-C-N 123.943 0.777 . . . . 0.0 111.601 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.11 -8.17 30.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.522 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 tpp180 69.11 -74.02 0.08 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.282 0.633 . . . . 0.0 111.655 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -66.19 122.63 17.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.964 0.411 . . . . 0.0 110.797 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.8 m -104.11 105.33 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.139 0.495 . . . . 0.0 110.757 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.447 HG22 ' H ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -127.33 167.51 22.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.809 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' H ' HG22 ' A' ' 16' ' ' ILE . 31.0 mt-10 -112.66 178.1 4.41 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.48 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -91.9 130.36 38.8 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.219 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 18.5 Cg_exo -67.05 165.68 25.54 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.135 2.557 . . . . 0.0 112.052 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -85.47 130.03 34.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.926 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -90.87 162.51 14.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.329 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.52 113.14 40.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.962 0.41 . . . . 0.0 110.528 -176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 58.3 t -90.37 123.43 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.089 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.32 151.28 13.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.388 0.613 . . . . 0.0 111.355 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -102.37 0.12 33.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.466 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -114.81 157.93 22.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.946 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -90.29 -27.56 19.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.95 0.405 . . . . 0.0 110.282 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -98.17 140.3 32.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.074 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.559 HG23 ' HB2' ' A' ' 45' ' ' LEU . 4.9 m -131.5 119.2 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-O 121.511 0.672 . . . . 0.0 110.651 174.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.01 93.62 9.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.029 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 49.2 t -85.7 127.79 34.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.547 0.689 . . . . 0.0 110.587 -172.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -114.44 6.88 16.11 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.629 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.595 ' HA3' ' HA2' ' A' ' 39' ' ' GLY . . . 97.67 -157.91 20.81 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.213 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.32 -128.39 6.37 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.913 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.61 175.06 5.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.851 0.358 . . . . 0.0 111.305 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.12 133.24 41.73 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.997 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 71.79 -18.32 0.31 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.816 0.846 . . . . 0.0 112.351 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 38' ' ' LEU . 1.1 tm? -87.58 -23.51 24.3 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.595 ' HA2' ' HA3' ' A' ' 33' ' ' GLY . . . -73.79 -168.98 17.58 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.693 -0.685 . . . . 0.0 113.508 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.574 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 6.9 p80 -147.61 169.53 9.17 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.574 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 7.5 Cg_endo -50.18 140.58 32.9 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.378 2.052 . . . . 0.0 111.379 173.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 33.1 ttm180 -66.26 120.77 13.84 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.479 -174.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.9 t -119.52 156.2 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.781 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -109.39 107.6 17.84 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.236 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.559 ' HB2' HG23 ' A' ' 29' ' ' VAL . 68.9 mt -105.99 160.76 15.04 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.7 t -136.95 130.07 31.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.902 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.7 mt -73.73 129.35 85.37 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.236 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -51.67 121.44 8.59 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.835 2.356 . . . . 0.0 111.925 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -77.16 70.59 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.418 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.477 ' HG3' HG23 ' A' ' 51' ' ' THR . 9.5 pt-20 -173.27 -33.76 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.496 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.477 HG23 ' HG3' ' A' ' 50' ' ' GLU . 25.9 p -107.77 -75.51 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.498 -176.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.646 ' HA3' ' HB2' ' A' ' 68' ' ' PHE . . . 129.74 8.58 3.42 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.573 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -136.24 153.44 51.21 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -133.59 -45.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.02 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.56 ' HG2' ' HG3' ' A' ' 62' ' ' ARG . 48.4 mt-10 65.68 -167.17 0.22 Allowed 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.291 0.37 . . . . 0.0 110.032 -174.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.1 t -142.12 138.71 31.84 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.159 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.51 41.25 2.27 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 174.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -155.49 -48.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.8 t -106.58 162.15 13.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.267 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.19 12.64 28.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.896 0.379 . . . . 0.0 111.485 -176.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -89.92 128.44 36.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.498 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.56 ' HG3' ' HG2' ' A' ' 55' ' ' GLU . 44.1 ttm180 -91.74 147.17 23.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.966 176.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -128.27 135.26 49.41 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.514 0.197 . . . . 0.0 110.489 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 79.7 mt -128.33 135.27 63.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.437 -177.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -79.48 148.8 31.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -54.48 -31.07 55.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.608 ' HA ' ' O ' ' A' ' 71' ' ' ALA . 10.8 t -74.19 -31.07 62.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.548 0.213 . . . . 0.0 110.813 -177.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.646 ' HB2' ' HA3' ' A' ' 52' ' ' GLY . 74.5 t80 -79.55 -20.47 46.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.522 0.677 . . . . 0.0 109.474 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.16 -58.34 3.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.739 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -170.23 -33.69 0.02 OUTLIER 'General case' 0 C--O 1.232 0.172 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.608 ' O ' ' HA ' ' A' ' 67' ' ' SER . . . -70.16 144.14 52.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.276 0.56 . . . . 0.0 112.021 -172.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -125.67 143.32 51.09 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.6 mt -96.57 141.22 30.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.035 0.445 . . . . 0.0 111.348 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 75' ' ' HIS . 1.8 tm-20 -101.35 -166.86 1.35 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.537 ' H ' ' CD ' ' A' ' 74' ' ' GLU . 61.7 m80 59.5 34.51 22.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.463 0.649 . . . . 0.0 110.501 -177.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -84.17 3.97 32.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.289 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -57.51 104.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.545 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -105.37 134.1 49.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -83.68 135.83 34.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.044 0.45 . . . . 0.0 111.394 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.883 175.919 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 2' ' ' ARG . 25.8 mmt180 -114.37 101.77 9.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.235 0.541 . . . . 0.0 112.138 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -149.63 93.07 2.0 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.626 171.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -87.73 117.29 68.32 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.9 108.64 0.78 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.89 2.394 . . . . 0.0 112.563 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -130.24 95.69 3.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.001 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.4 m -116.93 131.27 57.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.478 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -101.68 102.06 12.68 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -95.92 110.86 22.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.369 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -128.49 104.03 7.46 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.348 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -120.37 84.44 2.22 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.38 117.0 19.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.688 -171.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -75.11 -44.95 44.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.637 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.4 ttt -132.39 93.39 3.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.138 0.494 . . . . 0.0 109.965 178.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m -85.33 99.91 11.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.143 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mt -105.33 164.13 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -157.48 131.26 8.05 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.758 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.24 67.77 4.09 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 121.07 0.462 . . . . 0.0 110.708 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -93.17 164.04 2.51 Favored 'Trans proline' 0 N--CA 1.445 -1.339 0 C-N-CA 122.655 2.236 . . . . 0.0 111.71 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -117.79 86.99 2.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.571 0.7 . . . . 0.0 110.302 175.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -90.79 113.63 25.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.548 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.428 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 61.6 t -79.54 119.82 29.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.514 -174.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 45.7 t -82.39 116.21 26.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.457 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -109.98 153.07 11.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.886 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.4 t -112.64 7.0 18.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.832 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 28' ' ' LYS . 7.3 m -128.79 132.69 47.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.243 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.462 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 87.3 m95 -79.9 -21.49 43.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.26 0.552 . . . . 0.0 111.188 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' H ' HG22 ' A' ' 26' ' ' THR . 27.3 mmmt -102.03 103.98 14.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.966 177.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.8 m -109.47 151.47 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.82 0.343 . . . . 0.0 111.288 -175.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.71 112.19 18.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.663 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 39.1 t -100.75 149.02 24.24 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -141.79 26.12 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.694 0.759 . . . . 0.0 110.05 -176.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.72 -138.21 17.21 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.454 -0.793 . . . . 0.0 112.726 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -117.61 -156.79 10.49 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.156 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -63.88 151.33 42.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.875 0.369 . . . . 0.0 110.581 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.11 -122.28 23.41 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.55 -174.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -124.67 21.42 8.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.287 0.565 . . . . 0.0 109.606 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -73.79 112.57 10.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.236 -176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.36 -134.96 8.53 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.329 -0.939 . . . . 0.0 112.618 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -114.18 157.68 41.62 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 115.377 -0.411 . . . . 0.0 110.237 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.45 160.48 39.23 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.823 2.348 . . . . 0.0 112.082 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.599 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 8.4 tmm_? -52.76 132.56 36.62 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.058 0.456 . . . . 0.0 111.67 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.569 HG21 ' HE2' ' A' ' 58' ' ' TYR . 14.7 p -136.5 160.77 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.868 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.466 ' N ' HG22 ' A' ' 43' ' ' VAL . 97.4 m95 -112.22 129.95 56.09 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.758 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -123.56 163.22 21.41 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.1 t -129.45 109.87 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.661 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.495 HG12 HG11 ' A' ' 54' ' ' VAL . 58.8 mt -71.67 125.79 91.65 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.687 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 16.6 Cg_exo -67.61 126.15 14.35 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.593 2.196 . . . . 0.0 111.747 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.462 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 22.8 m-70 -68.23 -26.46 65.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.801 -176.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -75.83 -14.34 60.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.887 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.3 p -113.85 -37.57 4.48 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.327 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.544 ' HA3' ' CD1' ' A' ' 68' ' ' PHE . . . 83.88 -26.73 4.66 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.182 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -119.41 156.71 29.64 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.495 HG11 HG12 ' A' ' 47' ' ' ILE . 14.8 p -142.68 140.02 28.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.93 0.395 . . . . 0.0 111.056 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -94.52 132.91 38.69 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.551 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 52.0 t -68.49 135.43 51.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.989 0.423 . . . . 0.0 110.363 -178.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.4 -27.0 74.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.86 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.569 ' HE2' HG21 ' A' ' 43' ' ' VAL . 75.2 m-85 -87.2 -55.38 3.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.217 0.532 . . . . 0.0 111.18 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.551 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 12.3 p -119.19 154.81 32.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.022 -171.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -77.03 40.86 0.27 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.056 0.931 . . . . 0.0 110.605 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.413 ' H ' ' C ' ' A' ' 59' ' ' CYS . 16.8 ttt180 -100.11 142.57 31.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.756 174.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -122.84 139.36 54.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.096 0.474 . . . . 0.0 110.909 -175.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.428 ' CD2' ' HB ' ' A' ' 22' ' ' VAL . 91.6 m-85 -120.07 142.17 49.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.635 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 18.3 tt -133.8 138.0 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.273 -178.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -72.29 147.77 46.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.406 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -49.7 -37.36 28.68 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.621 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.1 t -63.74 -42.09 97.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.544 ' CD1' ' HA3' ' A' ' 52' ' ' GLY . 43.7 m-85 -84.15 -9.12 58.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.929 0.395 . . . . 0.0 110.977 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.82 64.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.879 175.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.38 -27.92 52.66 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.91 173.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 74.4 -70.49 0.15 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.017 175.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -167.56 -36.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.67 -173.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.4 mt -93.45 167.75 11.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.679 -174.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 76.46 112.74 0.07 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.501 1.126 . . . . 0.0 111.507 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -129.39 86.51 2.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.865 0.841 . . . . 0.0 109.788 174.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -148.25 -177.35 5.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.274 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -89.37 91.89 8.92 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -76.41 82.63 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.373 -173.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 73.62 -13.43 0.74 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.76 0.824 . . . . 0.0 111.606 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.0 p80 . . . . . 0 C--O 1.249 1.043 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.456 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.788 0.328 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -76.93 110.0 11.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.6 99.38 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.767 -178.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -174.06 89.44 0.35 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.144 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -86.81 124.05 2.16 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.621 2.214 . . . . 0.0 112.461 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -90.56 -9.47 47.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.191 0.52 . . . . 0.0 110.418 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.3 m -133.86 128.86 35.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.824 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -101.26 128.86 47.21 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -135.98 175.81 9.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.125 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 61.74 35.48 16.81 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.625 0.578 . . . . 0.0 110.675 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.5 m -84.18 139.57 32.31 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.911 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 73.31 -57.28 0.64 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.407 0.683 . . . . 0.0 110.814 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -97.79 95.55 7.62 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 173.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 84.6 mtp -75.9 -30.12 58.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.214 -173.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m 68.7 131.96 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 O-C-N 124.028 0.83 . . . . 0.0 111.963 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 pp -112.81 154.3 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.995 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -81.29 100.54 9.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.68 132.52 61.18 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.991 -174.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.24 170.8 18.03 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.629 2.219 . . . . 0.0 111.238 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' O ' ' HB ' ' A' ' 21' ' ' THR . 0.5 OUTLIER 68.52 174.66 0.28 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -176.414 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' A' ' 20' ' ' GLU . 18.7 m 66.92 141.81 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.66 0.743 . . . . 0.0 111.101 -176.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.504 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 46.1 t -101.2 104.35 16.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 O-C-N 121.971 -0.456 . . . . 0.0 111.275 -173.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.479 HG22 ' HB ' ' A' ' 64' ' ' ILE . 72.0 t -99.91 125.13 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.05 172.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.8 163.27 22.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.345 0.593 . . . . 0.0 111.971 -172.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 t -99.84 -0.57 39.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 174.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 m -98.45 133.93 42.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.062 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -78.17 -36.04 48.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.755 0.312 . . . . 0.0 111.406 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -87.01 115.24 24.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.181 0.515 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.6 135.37 59.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.05 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.55 106.03 18.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.3 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.4 t -86.67 148.65 25.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.934 -178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -163.88 72.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.621 0.725 . . . . 0.0 109.527 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.657 ' HA2' ' HA2' ' A' ' 39' ' ' GLY . . . 105.84 -170.24 16.79 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.087 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.745 ' HA3' ' SG ' ' A' ' 59' ' ' CYS . . . -176.64 -159.86 22.81 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.658 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -74.73 154.5 38.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 110.411 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.38 -127.83 14.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.681 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -114.78 14.29 17.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.774 0.321 . . . . 0.0 110.688 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.7 71.55 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.045 0.45 . . . . 0.0 111.272 -176.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.657 ' HA2' ' HA2' ' A' ' 33' ' ' GLY . . . -100.28 150.87 19.0 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.633 176.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.447 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 31.7 p80 -158.24 161.92 27.79 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 13.5 Cg_endo -57.88 159.24 18.31 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.655 2.237 . . . . 0.0 111.931 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 5.1 tmm_? -65.43 128.91 37.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.317 0.579 . . . . 0.0 111.079 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -126.82 156.76 38.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.727 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -104.65 112.1 25.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.129 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.7 mt -108.17 153.77 22.69 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.037 0.446 . . . . 0.0 110.884 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 t -120.62 106.98 12.27 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.12 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.557 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 70.7 mt -54.04 123.17 39.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.982 -178.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.444 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 99.8 Cg_exo -44.58 118.65 1.89 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.327 2.685 . . . . 0.0 112.34 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -81.12 -6.97 59.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.029 -167.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -101.85 -25.49 13.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.983 0.421 . . . . 0.0 110.928 -178.608 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 4.0 p -99.38 -52.53 3.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.589 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.92 7.73 26.85 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.31 -0.947 . . . . 0.0 113.028 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -149.44 145.35 26.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.557 ' HB ' ' HA ' ' A' ' 47' ' ' ILE . 7.2 p -113.24 130.15 67.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.447 0.641 . . . . 0.0 111.835 -177.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -104.55 109.66 21.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.256 -0.883 . . . . 0.0 108.729 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.79 136.68 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.005 0.431 . . . . 0.0 111.338 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.71 35.02 3.98 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.903 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -150.34 -61.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.745 ' SG ' ' HA3' ' A' ' 34' ' ' GLY . 23.3 t -102.63 177.69 4.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.813 179.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.93 57.64 0.64 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.809 0.814 . . . . 0.0 109.859 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.512 ' HD2' ' HA2' ' A' ' 34' ' ' GLY . 1.4 mmp_? -112.58 124.83 53.41 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.326 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -102.73 116.6 32.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.163 0.506 . . . . 0.0 111.073 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.522 ' HB2' HG12 ' A' ' 54' ' ' VAL . 38.7 m-85 -103.01 131.18 50.18 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.479 ' HB ' HG22 ' A' ' 23' ' ' VAL . 59.3 mt -113.83 139.44 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.837 0.351 . . . . 0.0 110.682 -174.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -85.65 144.43 27.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -54.98 -28.76 54.27 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 t -72.33 -30.69 64.98 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.069 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -79.92 -27.26 39.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.052 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 173.5 97.28 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.257 -175.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.16 -69.96 0.67 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.859 0.362 . . . . 0.0 111.424 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -165.45 -173.54 2.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.935 -177.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -98.57 -39.11 8.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.7 mt -107.45 -163.05 0.87 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.589 175.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -70.21 -40.27 74.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.9 t60 48.98 37.28 9.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.856 0.862 . . . . 0.0 112.634 170.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -116.64 138.14 51.66 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 174.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -76.13 113.55 13.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.555 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -77.02 101.88 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.906 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -98.93 -174.85 2.88 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.807 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 C--N 1.319 -0.742 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.233 179.757 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 120.674 0.273 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -146.9 117.58 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.67 -172.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -127.88 133.95 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 4' ' ' GLN . 12.2 mm-40 -120.22 93.24 47.94 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -94.13 83.59 0.15 Allowed 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 123.067 2.511 . . . . 0.0 110.444 169.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -76.06 -53.26 8.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.006 0.432 . . . . 0.0 111.007 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.548 HG23 ' HA ' ' A' ' 68' ' ' PHE . 28.0 m -92.36 111.2 22.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.256 -176.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.742 HH21 ' HB2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -118.89 149.96 40.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 173.125 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.431 ' HA ' ' OG ' ' A' ' 67' ' ' SER . 85.2 mt-30 -83.72 61.89 6.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.565 0.697 . . . . 0.0 110.032 176.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -105.99 -153.5 0.49 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.165 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.7 m -129.56 163.22 26.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.282 0.563 . . . . 0.0 111.975 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.68 89.04 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.454 170.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.7 53.55 2.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.825 -174.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.434 ' HB3' HD12 ' A' ' 16' ' ' ILE . 59.7 mtt -140.96 157.6 45.12 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.467 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.9 m -148.83 33.11 0.76 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -100.9 163.11 3.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.664 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -69.72 116.61 10.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.944 0.402 . . . . 0.0 110.884 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.3 147.66 65.97 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.795 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.547 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 57.9 Cg_endo -74.48 96.33 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.562 2.174 . . . . 0.0 113.148 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 4.4 mm-40 -179.88 -168.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.42 -1.264 . . . . 0.0 108.556 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -73.26 170.35 15.19 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.3 t -82.6 102.31 8.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.239 0.542 . . . . 0.0 110.919 -172.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.403 HG13 ' HA ' ' A' ' 66' ' ' GLU . 46.9 t -84.15 124.21 39.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.067 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.424 HG21 ' CD1' ' A' ' 47' ' ' ILE . 27.2 m -119.9 150.59 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.0 t -105.67 -6.83 18.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.668 0.747 . . . . 0.0 109.434 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -116.65 135.41 53.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.623 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.406 ' HE3' ' HB ' ' A' ' 47' ' ' ILE . 97.5 m95 -75.6 -37.59 59.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.985 0.421 . . . . 0.0 110.581 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -97.25 106.3 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.411 HG23 ' HB2' ' A' ' 45' ' ' LEU . 11.6 m -112.8 130.44 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.404 -175.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.76 107.98 19.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.799 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.4 t -97.98 138.41 35.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.911 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -124.27 14.8 9.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.839 0.828 . . . . 0.0 109.981 -176.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.458 ' HA3' ' HA3' ' A' ' 39' ' ' GLY . . . 85.46 -110.41 3.43 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.584 177.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.37 160.38 28.34 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.87 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.458 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.5 mp0 -53.63 140.27 29.46 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.182 0.515 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.34 -129.2 8.91 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.591 -177.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.67 27.22 8.31 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.344 0.592 . . . . 0.0 109.937 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.8 mt -97.91 28.53 3.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.111 -175.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.458 ' HA3' ' HA3' ' A' ' 33' ' ' GLY . . . -143.93 175.58 23.73 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.287 -0.959 . . . . 0.0 112.833 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -90.25 166.62 19.29 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.96 149.29 80.19 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.179 1.919 . . . . 0.0 111.901 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -52.51 128.89 27.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.506 -176.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.492 HG22 ' N ' ' A' ' 44' ' ' TRP . 10.1 p -134.19 163.93 35.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-O 121.336 0.588 . . . . 0.0 111.06 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.492 ' N ' HG22 ' A' ' 43' ' ' VAL . 92.5 m95 -118.13 115.97 25.89 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.736 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' HB2' HG23 ' A' ' 29' ' ' VAL . 68.5 mt -107.73 160.7 15.52 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 t -135.84 112.78 10.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.489 HG12 HG11 ' A' ' 54' ' ' VAL . 62.7 mt -72.7 128.84 87.73 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.992 -176.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.645 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 75.0 Cg_exo -50.28 123.97 12.11 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.982 2.455 . . . . 0.0 111.53 175.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -80.07 -13.99 58.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.16 -168.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -103.74 -5.72 22.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.779 0.323 . . . . 0.0 110.848 -178.768 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.645 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 67.1 p -100.31 -55.68 2.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.847 0.356 . . . . 0.0 110.238 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.56 5.56 53.89 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.092 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -153.47 156.29 37.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.703 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.489 HG11 HG12 ' A' ' 47' ' ' ILE . 10.1 p -149.39 146.74 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.364 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -107.05 132.75 52.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 44.1 t -84.77 99.83 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.67 -17.6 75.04 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.205 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -89.89 -26.32 20.52 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.713 0.292 . . . . 0.0 111.478 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -106.87 -85.24 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.2 t70 171.48 -40.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.881 0.738 . . . . 0.0 110.079 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -54.14 138.58 37.73 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.438 -174.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 49.2 ttm-85 -105.58 129.22 53.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.996 173.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -109.69 140.13 43.91 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -176.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.0 tt -131.41 144.91 36.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.402 ' HB3' ' HD1' ' A' ' 68' ' ' PHE . 50.4 t-80 -72.15 146.92 47.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.7 0.286 . . . . 0.0 110.759 -178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HA ' HG13 ' A' ' 23' ' ' VAL . 15.2 pt-20 -48.17 -46.01 34.23 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.014 -177.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.514 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 37.7 t -70.37 -36.18 73.98 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.702 0.286 . . . . 0.0 111.222 -173.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.548 ' HA ' HG23 ' A' ' 7' ' ' THR . 87.6 m-85 -78.64 -17.95 55.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.911 0.386 . . . . 0.0 111.174 -177.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.41 -73.16 0.44 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.017 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.24 42.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.484 -176.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.514 ' HB2' ' HA ' ' A' ' 67' ' ' SER . . . -56.04 135.93 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.191 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.742 ' HB2' HH21 ' A' ' 8' ' ' ARG . 87.8 tttt -170.8 -30.6 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.316 0.579 . . . . 0.0 110.126 -177.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.8 mt -75.41 155.55 36.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.097 -176.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.98 179.05 8.16 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.151 178.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.48 75.41 0.43 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.5 m170 67.12 84.8 0.15 Allowed 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.919 -171.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -68.13 140.15 56.17 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -53.44 124.05 13.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.167 0.508 . . . . 0.0 110.935 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -85.1 -8.83 58.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.909 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.9 m80 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.643 175.101 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 tpt . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.37 -0.234 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 71.64 102.37 0.07 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.959 0.787 . . . . 0.0 111.327 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.414 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 31.9 mtm180 -120.09 109.4 15.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.426 176.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -103.57 105.67 48.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.808 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 3' ' ' ARG . 41.6 Cg_endo -90.12 158.01 4.77 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.868 2.379 . . . . 0.0 112.484 177.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 52.25 89.76 0.03 OUTLIER 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.888 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -168.29 137.51 2.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.812 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -125.12 106.7 10.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.965 0.412 . . . . 0.0 111.518 -175.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.19 91.47 8.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 171.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -70.14 100.78 1.71 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.672 0.748 . . . . 0.0 111.636 -174.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 t -102.16 112.62 25.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.075 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.61 94.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.317 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -79.51 95.44 5.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.424 0.631 . . . . 0.0 109.838 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.9 ptp -99.97 -20.85 15.89 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.01 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.7 t -77.78 112.25 14.43 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pp -102.8 139.21 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-O 121.188 0.518 . . . . 0.0 111.994 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -145.03 103.0 3.83 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -144.47 111.68 5.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.799 0.333 . . . . 0.0 111.895 -175.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 4.1 Cg_exo -83.92 37.16 0.62 Allowed 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 123.632 2.888 . . . . 0.0 111.675 172.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' O ' ' HB ' ' A' ' 21' ' ' THR . 42.7 tt0 -88.39 150.88 22.95 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.158 -1.383 . . . . 0.0 110.9 -175.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 20' ' ' GLU . 24.3 m 69.44 128.89 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 124.127 0.892 . . . . 0.0 112.4 177.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 t -110.78 119.8 60.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.778 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.81 127.48 43.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.905 0.383 . . . . 0.0 110.554 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.458 ' HB ' HG22 ' A' ' 26' ' ' THR . 29.0 m -134.5 152.47 33.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -113.27 18.5 17.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.458 HG22 ' HB ' ' A' ' 24' ' ' VAL . 5.2 t -117.55 155.12 30.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.044 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -96.25 -9.19 30.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.342 . . . . 0.0 111.6 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -126.0 121.91 34.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.799 0.333 . . . . 0.0 110.173 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.8 m -119.24 133.25 66.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.197 0.522 . . . . 0.0 111.52 -176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.55 110.8 21.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.503 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -89.86 141.2 28.87 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 -177.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -127.55 19.73 6.74 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.854 -169.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.85 -133.92 12.12 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.339 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.18 -108.85 2.27 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.519 -0.633 . . . . 0.0 111.519 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.741 ' HB2' HD12 ' A' ' 38' ' ' LEU . 41.6 mt-10 -87.04 -177.74 6.11 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 114.955 -0.623 . . . . 0.0 109.627 174.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.38 115.45 7.08 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.878 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 73.26 6.41 5.18 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.777 0.831 . . . . 0.0 111.969 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.741 HD12 ' HB2' ' A' ' 35' ' ' GLU . 96.9 mt -111.58 89.27 3.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.552 0.215 . . . . 0.0 110.494 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.51 -144.74 12.42 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.044 -1.074 . . . . 0.0 112.614 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.667 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 33.7 p80 -97.64 161.92 24.2 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.598 -0.301 . . . . 0.0 110.927 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.3 156.67 44.54 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.506 2.137 . . . . 0.0 110.954 172.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.98 121.94 15.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.807 0.337 . . . . 0.0 111.607 -172.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -123.22 157.44 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -110.01 120.28 41.96 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.798 0.332 . . . . 0.0 110.386 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -109.34 162.79 13.99 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.413 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.2 m -126.08 131.87 52.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.722 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 55.0 mt -90.94 129.29 44.64 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.282 -174.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.561 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 38.5 Cg_exo -57.6 129.44 33.76 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.929 2.419 . . . . 0.0 111.645 174.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -78.95 -21.5 47.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.634 -170.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.79 -24.29 22.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.026 -176.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.561 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 18.4 p -97.54 -45.0 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.62 17.94 46.88 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.741 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' HB3' HG13 ' A' ' 64' ' ' ILE . 27.7 p90 -154.42 151.81 29.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 63' ' ' TYR . 14.1 p -125.52 141.68 44.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.875 0.369 . . . . 0.0 110.772 -176.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -97.05 147.37 24.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.924 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.0 t -116.2 119.82 36.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.738 0.304 . . . . 0.0 110.522 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.84 -3.1 71.12 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.576 175.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.4 -47.86 10.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.459 -0.37 . . . . 0.0 110.676 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 69.7 m -143.81 179.42 7.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.951 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -78.12 11.6 2.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -173.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -78.52 154.51 30.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.017 0.437 . . . . 0.0 111.156 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -149.03 127.85 12.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' HB2' HG12 ' A' ' 54' ' ' VAL . 52.2 m-85 -107.62 138.11 44.43 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -174.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.411 HG13 ' HB3' ' A' ' 53' ' ' PHE . 15.9 tt -134.18 148.37 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.87 0.367 . . . . 0.0 111.06 -177.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -72.9 146.44 46.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.949 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 67' ' ' SER . 4.1 pt-20 -45.43 -43.82 11.66 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.777 0.831 . . . . 0.0 113.183 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 23.1 t -69.73 -28.69 66.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.981 0.42 . . . . 0.0 111.603 -172.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -89.19 -14.61 35.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.983 0.42 . . . . 0.0 110.509 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -97.19 29.4 3.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.15 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.45 33.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.612 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.94 -26.62 54.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.282 0.563 . . . . 0.0 110.672 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -106.36 -173.8 2.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.846 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.6 141.89 48.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.858 0.361 . . . . 0.0 110.212 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -108.48 179.82 4.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.326 0.584 . . . . 0.0 111.712 -174.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -150.34 37.29 0.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -92.36 4.58 53.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.143 -173.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -74.64 99.71 3.74 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -167.84 -39.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.335 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -133.48 148.87 51.73 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 169.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.938 -174.588 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.688 0.28 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -69.34 117.4 10.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.22 0.534 . . . . 0.0 111.367 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -165.75 119.53 1.18 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 57.13 70.1 1.47 Allowed Pre-proline 0 CA--C 1.534 0.345 0 O-C-N 123.739 0.65 . . . . 0.0 110.264 -175.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.74 80.44 2.59 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.913 2.408 . . . . 0.0 112.689 -175.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -126.69 121.57 32.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.262 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 p -83.79 124.59 31.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.055 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -54.96 -64.92 0.68 Allowed 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.443 0.465 . . . . 0.0 110.474 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -141.31 129.39 22.05 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.18 131.9 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.6 m -77.22 85.5 3.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.21 -169.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.05 100.3 12.53 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -70.26 124.52 24.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.553 0.692 . . . . 0.0 112.68 -171.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.4 tpt -92.97 162.19 14.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.421 171.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.9 m -63.92 88.82 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.04 0.448 . . . . 0.0 111.097 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' ' 17' ' ' GLU . 5.9 mt -134.98 167.64 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 176.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' H ' HG22 ' A' ' 16' ' ' ILE . 34.5 tt0 -93.03 139.62 30.34 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -74.62 139.48 74.37 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.589 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 17.1 Cg_exo -68.62 176.07 6.33 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.082 2.521 . . . . 0.0 112.811 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.488 ' H ' ' HG3' ' A' ' 35' ' ' GLU . 10.4 tp10 -64.86 120.9 13.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.685 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -79.91 120.64 24.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.849 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.13 129.01 61.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.908 0.385 . . . . 0.0 110.95 -175.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 57.2 t -102.84 124.93 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.721 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 m -118.29 147.95 21.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.237 0.542 . . . . 0.0 112.022 -174.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.0 m -100.86 -21.83 15.0 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.082 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -89.8 157.41 17.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.038 -175.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -86.56 -12.82 47.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 0.0 110.94 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -121.04 143.03 49.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.599 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 63' ' ' TYR . 3.0 t -133.89 159.22 42.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.13 114.03 20.32 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 42.0 t -98.71 130.04 45.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.47 ' OD1' ' HB2' ' A' ' 42' ' ' ARG . 7.9 t70 -117.21 20.27 13.78 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.528 0.68 . . . . 0.0 110.24 -174.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' HA2' ' CD2' ' A' ' 40' ' ' HIS . . . 136.2 -156.72 23.13 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.562 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.52 -161.06 8.65 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.57 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.488 ' HG3' ' H ' ' A' ' 20' ' ' GLU . 25.0 mm-40 -101.09 148.46 25.04 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.45 -114.4 5.68 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.513 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.2 -16.31 40.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.71 130.54 41.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.769 0.318 . . . . 0.0 110.652 -177.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.49 145.52 10.05 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.191 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.404 ' CD2' ' HA2' ' A' ' 33' ' ' GLY . 34.8 p80 -169.67 163.76 6.74 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.05 153.25 65.58 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.036 2.49 . . . . 0.0 111.723 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.497 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 26.9 ttm180 -63.43 122.37 16.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.134 0.492 . . . . 0.0 111.597 -175.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 44' ' ' TRP . 13.1 p -116.53 163.08 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.41 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.462 ' N ' HG22 ' A' ' 43' ' ' VAL . 94.1 m95 -106.81 111.15 23.54 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.93 -177.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -106.88 171.34 7.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.168 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.6 t -143.41 148.44 36.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.394 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.6 mm -87.5 116.14 65.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.403 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.21 126.73 18.46 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.503 2.136 . . . . 0.0 111.511 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -76.93 -16.78 59.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.499 0.666 . . . . 0.0 109.934 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -80.21 -13.53 59.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.397 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 p -125.81 -53.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.648 0.261 . . . . 0.0 111.512 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.73 9.19 35.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.609 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -158.02 156.78 31.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 63' ' ' TYR . 7.9 p -138.92 146.72 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.016 0.436 . . . . 0.0 110.997 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -118.3 126.06 51.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.429 ' HB3' ' H ' ' A' ' 61' ' ' ARG . 36.3 t -64.31 121.66 14.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.922 0.391 . . . . 0.0 111.711 -174.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.84 -5.54 68.33 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.887 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -80.99 -41.72 22.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 p -133.42 -97.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.495 171.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 179.39 91.92 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.455 0.645 . . . . 0.0 110.388 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.429 ' H ' ' HB3' ' A' ' 56' ' ' CYS . 38.2 ttm180 -137.2 152.79 50.28 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 169.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttm105 -115.72 117.76 31.16 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.53 -172.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.489 ' HB2' HG12 ' A' ' 54' ' ' VAL . 87.1 m-85 -107.31 125.55 51.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.484 -178.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 34.3 mm -116.03 139.99 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.696 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -78.75 142.72 36.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.915 0.388 . . . . 0.0 110.482 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.92 -31.93 60.71 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 t -66.63 -18.25 65.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.744 0.307 . . . . 0.0 111.183 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.89 -13.8 22.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.09 0.471 . . . . 0.0 110.775 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.44 -37.66 13.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.248 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.16 -81.58 0.15 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.829 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 66.59 -63.17 0.26 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.05 0.844 . . . . 0.0 112.791 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' H ' ' HD2' ' A' ' 72' ' ' LYS . 8.5 mptt -77.08 -51.5 10.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.713 0.292 . . . . 0.0 110.979 -176.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 73' ' ' LEU . 5.2 mp -83.76 133.57 34.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.983 -177.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 51.93 91.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.428 1.08 . . . . 0.0 111.474 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -66.76 91.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.163 0.506 . . . . 0.0 110.569 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -63.38 98.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.754 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -136.79 -65.93 0.54 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.202 -172.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.23 93.2 0.05 Allowed 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.599 0.562 . . . . 0.0 111.235 -177.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -86.8 133.39 33.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.349 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.4 t60 . . . . . 0 C--N 1.317 -0.808 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.158 174.706 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.516 0.198 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.523 ' HG2' ' HG2' ' A' ' 4' ' ' GLN . 42.7 ttm180 -64.28 115.0 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 174.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -86.66 74.9 9.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.637 -173.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.523 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 4.0 pt20 -169.4 123.86 0.7 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.018 0.437 . . . . 0.0 110.551 173.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 4' ' ' GLN . 4.0 Cg_exo -81.79 45.53 1.98 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.483 2.788 . . . . 0.0 112.132 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -87.54 98.45 11.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.049 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.1 m -127.48 137.1 52.58 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.419 -177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -145.88 111.55 5.52 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -92.49 30.08 1.58 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.951 -173.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -117.06 21.85 12.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.406 0.622 . . . . 0.0 110.299 176.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.4 m -99.22 110.85 23.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.535 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.27 96.94 3.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.857 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HG2' ' H ' ' A' ' 14' ' ' MET . 24.2 ttm180 -137.37 166.59 23.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.472 ' H ' ' HG2' ' A' ' 13' ' ' ARG . 65.5 mtt 76.81 166.76 0.25 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.899 0.749 . . . . 0.0 111.763 176.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.7 m -151.55 114.27 4.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.341 175.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 pp -119.38 150.44 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.476 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -112.06 76.8 1.0 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.283 0.563 . . . . 0.0 109.843 174.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.72 83.84 1.35 Allowed Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.584 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.52 109.61 2.8 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.887 1.725 . . . . 0.0 111.152 175.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 22.4 mm-40 -73.84 91.55 1.97 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.503 0.668 . . . . 0.0 111.794 -175.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -112.81 123.8 51.13 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.272 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.9 t -120.39 128.94 76.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.612 -174.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 43.1 t -95.96 119.97 44.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 m -125.07 151.71 30.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 111.634 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 m -90.25 -13.71 34.85 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.123 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.9 p -101.31 143.63 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.234 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -78.68 -31.37 46.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.014 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -100.8 124.23 46.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.862 0.363 . . . . 0.0 110.595 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -123.6 148.05 27.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.603 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.41 109.74 20.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.848 177.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.0 t -92.81 149.93 20.95 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -161.03 75.05 0.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.17 129.9 6.8 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.656 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.577 ' HA3' ' SG ' ' A' ' 59' ' ' CYS . . . -115.76 -174.34 17.75 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 176.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -78.78 174.15 11.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.132 0.491 . . . . 0.0 111.43 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.04 -115.8 4.41 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.513 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -126.55 13.53 7.55 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.995 0.426 . . . . 0.0 110.39 176.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.5 mt -90.61 71.04 6.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.7 -175.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.68 139.1 14.48 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 173.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.0 p80 -151.1 157.22 35.37 Favored Pre-proline 0 C--N 1.316 -0.873 0 CA-C-N 116.649 0.225 . . . . 0.0 110.53 -175.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.62 168.59 19.52 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.795 2.33 . . . . 0.0 112.364 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -55.06 121.18 8.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.689 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 p -120.48 153.45 23.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.431 0.634 . . . . 0.0 109.918 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -111.48 115.2 28.82 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.623 -175.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.9 mt -112.04 159.34 18.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.406 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.1 t -135.73 115.05 12.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.466 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.561 HG12 HG12 ' A' ' 54' ' ' VAL . 66.2 mt -65.86 124.01 86.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.148 -177.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 29.7 Cg_exo -62.51 127.63 21.34 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.813 2.342 . . . . 0.0 111.491 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -70.78 -24.6 62.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.366 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.44 -19.99 51.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.377 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.9 p -102.31 -48.47 4.18 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.915 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.45 2.37 60.28 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -176.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.502 ' HB2' HD13 ' A' ' 64' ' ' ILE . 50.1 p90 -155.34 156.1 34.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.561 HG12 HG12 ' A' ' 47' ' ' ILE . 12.5 p -137.57 140.22 41.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.007 0.432 . . . . 0.0 110.414 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.45 129.79 54.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.605 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 38.2 t -71.28 151.22 44.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -176.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.5 -19.79 31.41 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.893 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -80.05 -30.38 39.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.577 ' SG ' ' HA3' ' A' ' 34' ' ' GLY . 47.6 t -157.17 169.59 24.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.416 -0.586 . . . . 0.0 109.416 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.6 33.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.157 0.503 . . . . 0.0 111.653 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HD3' ' HB3' ' A' ' 20' ' ' GLU . 10.3 mmt85 -73.04 123.46 23.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.476 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -115.14 113.03 23.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.766 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -100.6 120.84 40.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.023 0.44 . . . . 0.0 110.603 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.502 HD13 ' HB2' ' A' ' 53' ' ' PHE . 25.6 mm -109.23 125.62 66.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.453 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -76.4 136.56 39.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -59.98 -17.35 37.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -173.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.4 p -70.18 -38.33 75.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.258 0.551 . . . . 0.0 110.084 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -79.79 -20.94 45.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.77 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -92.98 1.32 57.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.132 -176.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.18 26.74 3.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.688 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.77 105.78 1.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.3 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -82.62 -35.11 27.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.148 -176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.1 mt -68.93 139.9 55.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.641 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -156.04 167.61 29.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.393 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.4 m170 70.08 5.51 5.32 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.786 0.679 . . . . 0.0 111.934 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -76.06 82.6 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.085 0.469 . . . . 0.0 110.525 -177.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -153.61 -28.41 0.13 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.709 175.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -88.16 -156.67 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 172.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -66.7 -36.44 82.49 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 166.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-N 114.509 -1.223 . . . . 0.0 108.969 170.358 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 71.56 -48.03 0.67 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.628 0.771 . . . . 0.0 111.31 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -102.18 103.24 13.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.134 0.492 . . . . 0.0 111.254 178.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.9 161.88 55.14 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.134 174.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.23 108.06 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.297 1.998 . . . . 0.0 110.836 170.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -116.04 119.96 37.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.536 -171.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 t -159.81 112.94 2.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.151 0.5 . . . . 0.0 111.45 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 65.73 -166.9 0.22 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.559 173.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -132.73 138.84 47.36 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.771 -174.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -107.03 108.64 20.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.86 0.362 . . . . 0.0 110.141 172.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.8 t -159.97 110.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.743 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.86 45.68 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.853 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 70.91 142.78 0.05 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.76 -175.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.3 mtt -78.49 64.18 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.025 0.44 . . . . 0.0 110.91 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -137.27 97.69 3.54 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -120.01 150.54 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.956 -177.641 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -141.09 38.87 1.77 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.807 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.11 148.62 92.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.656 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.84 151.56 80.19 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.391 2.061 . . . . 0.0 111.887 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.77 126.27 26.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.136 0.493 . . . . 0.0 110.842 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -83.4 146.67 28.32 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.403 -174.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 47.4 t -106.89 139.29 28.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.878 177.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.0 t -88.22 125.41 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.392 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.1 m -111.89 143.07 22.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.281 0.562 . . . . 0.0 111.314 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 m -96.97 17.46 16.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.257 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.4 m -147.2 142.01 26.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.416 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -64.07 -34.65 78.5 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.73 0.3 . . . . 0.0 111.196 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -102.14 134.55 45.21 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.34 153.98 33.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.601 -175.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 43' ' ' VAL . . . -109.65 100.53 9.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.46 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.9 t -88.83 151.75 22.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.676 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -159.06 72.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.41 0.624 . . . . 0.0 109.805 -174.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.09 -146.96 18.43 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.436 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.33 -167.59 40.33 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.312 -0.471 . . . . 0.0 112.106 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -78.33 161.43 27.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.992 0.425 . . . . 0.0 111.055 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.85 -135.21 15.74 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.471 176.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.78 13.79 33.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.939 0.399 . . . . 0.0 110.853 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' A' ' 59' ' ' CYS . 0.6 OUTLIER -91.61 120.42 32.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.906 -177.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -146.05 135.49 5.89 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.374 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 27.0 p80 -149.93 153.81 36.3 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 40' ' ' HIS . 21.6 Cg_exo -66.94 161.24 43.34 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.904 2.403 . . . . 0.0 112.485 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 42' ' ' ARG . 41.2 ttp180 -51.0 120.22 4.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.086 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 44' ' ' TRP . 11.3 p -122.86 163.7 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.297 0.57 . . . . 0.0 110.244 176.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.468 ' N ' HG22 ' A' ' 43' ' ' VAL . 96.0 m95 -113.68 115.62 28.14 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.444 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.9 mt -112.68 164.09 13.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -140.13 128.15 22.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.321 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 68.4 mt -85.23 126.47 67.25 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.115 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 16.3 Cg_exo -68.86 143.91 57.02 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.884 2.389 . . . . 0.0 112.182 176.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -70.36 -35.72 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.642 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.4 pm0 -71.42 -22.24 61.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.637 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.0 p -96.67 -57.53 2.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 111.133 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.55 -8.59 66.43 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.49 ' HB3' HG12 ' A' ' 64' ' ' ILE . 47.5 p90 -142.56 164.91 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.53 137.87 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.155 0.503 . . . . 0.0 111.337 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.85 120.39 34.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.057 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.3 t -67.35 102.71 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.849 0.356 . . . . 0.0 110.5 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.99 44.69 3.05 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -152.89 -49.26 0.1 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.537 ' HA ' HD11 ' A' ' 38' ' ' LEU . 36.6 t -94.93 -89.19 0.24 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.109 177.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 59' ' ' CYS . 38.7 t70 172.49 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -51.9 144.63 11.23 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.451 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -104.62 142.16 35.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.469 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 91.4 m-85 -125.18 144.16 50.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.736 0.303 . . . . 0.0 110.646 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.49 HG12 ' HB3' ' A' ' 53' ' ' PHE . 70.5 mt -129.56 136.89 58.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.351 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -71.02 145.69 49.81 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 110.248 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -52.4 -33.34 43.1 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -176.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.1 t -64.8 -36.31 83.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.152 0.501 . . . . 0.0 110.544 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -81.96 -14.83 55.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.177 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.29 -39.19 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.578 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.36 -36.54 68.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.719 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 65.95 102.96 0.04 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.655 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -108.77 136.31 48.56 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.964 172.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt -73.15 135.97 44.74 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.819 0.342 . . . . 0.0 110.266 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -83.59 147.23 27.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.661 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -168.54 141.73 3.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.8 168.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -72.05 108.42 5.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.94 -172.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -78.86 87.94 4.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.099 0.476 . . . . 0.0 110.035 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.431 ' C ' ' H ' ' A' ' 80' ' ' HIS . 30.4 t-80 -169.03 140.84 2.53 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -77.05 37.16 0.19 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.261 0.553 . . . . 0.0 110.917 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.431 ' H ' ' C ' ' A' ' 78' ' ' HIS . 54.4 t-80 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.728 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptp . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 2' ' ' ARG . 35.9 mtm180 62.12 -163.8 0.26 Allowed 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.423 0.452 . . . . 0.0 110.988 -174.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -126.3 150.08 48.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.025 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -139.65 92.09 10.34 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.199 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -82.03 159.35 18.18 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.474 2.116 . . . . 0.0 111.765 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -86.29 95.24 9.56 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 p -85.58 85.83 7.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.72 -174.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -99.54 93.11 5.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 172.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.9 137.93 58.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.371 -173.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -76.87 87.12 3.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.448 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.8 t -90.29 -160.84 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.97 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.19 134.75 55.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.634 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -83.99 -41.85 16.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.091 -174.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.9 ttp -165.21 97.81 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.69 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 m -85.57 137.53 32.8 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.017 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.91 161.16 15.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 174.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 60.98 88.36 0.08 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.565 0.541 . . . . 0.0 110.101 -172.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.25 77.09 0.29 Allowed Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.291 -173.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -84.42 -172.76 1.34 Allowed 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.988 2.459 . . . . 0.0 113.086 -175.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.8 ' HB2' ' HB3' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -116.99 18.46 14.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 122.17 0.986 . . . . 0.0 109.373 179.038 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -87.87 46.04 1.34 Allowed 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.175 -1.375 . . . . 0.0 111.003 -171.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.5 t -90.85 98.89 8.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.087 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 47.7 t -79.61 127.11 39.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.111 -174.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.403 HG21 HD11 ' A' ' 47' ' ' ILE . 20.4 m -117.11 148.22 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.739 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 t -101.06 -11.87 19.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.391 0.615 . . . . 0.0 109.63 178.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.21 153.32 23.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.914 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.487 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 94.5 m95 -91.53 -26.96 18.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.338 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -95.62 102.31 14.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 30' ' ' ALA . 4.8 t -108.13 163.07 5.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.956 -172.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.406 ' N ' HG12 ' A' ' 29' ' ' VAL . . . -112.01 129.27 56.25 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.27 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 21.9 t -96.48 147.25 24.04 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -160.54 71.52 0.44 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.518 0.675 . . . . 0.0 110.409 -172.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.62 -135.9 13.48 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.936 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.37 -139.51 5.29 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 121.197 -0.525 . . . . 0.0 111.836 -177.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -98.11 153.37 18.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.014 0.435 . . . . 0.0 111.258 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.86 -125.33 30.29 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.844 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.4 16.57 24.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.855 0.359 . . . . 0.0 111.373 -176.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.14 105.24 17.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.254 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.58 150.2 21.73 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.525 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -160.37 154.29 19.38 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.67 154.25 50.21 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.565 2.177 . . . . 0.0 112.154 177.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 5.2 tmm_? -57.87 131.7 51.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.249 -176.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -130.24 160.91 40.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.03 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -97.63 133.84 41.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.858 0.361 . . . . 0.0 111.414 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -120.92 171.63 8.5 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.143 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.6 t -139.09 126.34 21.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.962 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.72 HG12 ' HB ' ' A' ' 54' ' ' VAL . 56.4 mt -84.74 125.1 71.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.738 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 24.6 Cg_exo -63.81 132.72 36.03 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 122.883 2.388 . . . . 0.0 110.935 173.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.487 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 24.5 m-70 -81.42 -13.72 57.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -165.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -91.81 -27.87 17.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 110.757 -177.708 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 53' ' ' PHE . 2.3 p -91.68 -44.45 9.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.467 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.11 3.06 63.85 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.168 176.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CE2' ' HB ' ' A' ' 51' ' ' THR . 52.7 p90 -138.2 154.43 49.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.72 ' HB ' HG12 ' A' ' 47' ' ' ILE . 7.3 p -116.37 124.32 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.0 110.821 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -92.41 114.06 26.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.03 176.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.4 t -69.01 145.23 53.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.572 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.05 19.2 23.16 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 176.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -129.19 -22.37 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.716 -0.242 . . . . 0.0 111.123 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.6 t -162.1 175.17 12.02 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.426 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -87.17 45.04 1.23 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.928 0.87 . . . . 0.0 109.924 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.674 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 3.9 mmp_? -106.1 115.53 30.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.726 176.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.8 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 42.1 ttm180 -114.83 130.46 56.88 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.094 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -115.62 140.5 49.12 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 42.6 mm -116.36 127.73 73.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.036 -176.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -68.55 145.49 53.94 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -53.02 -32.65 47.81 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.9 t -70.99 -32.74 69.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 -178.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.441 ' HD2' HG23 ' A' ' 64' ' ' ILE . 55.5 t80 -88.93 -17.15 30.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.404 0.621 . . . . 0.0 109.771 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.94 -48.45 30.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.635 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.53 39.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.205 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.16 -80.87 0.45 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.353 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -90.97 -54.83 3.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.264 -173.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.7 mt -100.9 167.57 10.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.487 0.184 . . . . 0.0 110.677 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 75' ' ' HIS . 36.8 mm-40 -102.4 -56.03 2.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 54.5 m80 65.52 14.45 9.49 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.584 0.707 . . . . 0.0 109.425 -168.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -110.72 139.99 45.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.256 -175.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -62.7 145.53 54.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.022 0.439 . . . . 0.0 111.236 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -123.86 124.82 43.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.004 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -106.07 127.87 53.47 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.862 -0.59 . . . . 0.0 110.376 179.736 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 tpp . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -117.58 159.92 22.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.411 ' HD3' HH11 ' A' ' 3' ' ' ARG . 0.3 OUTLIER -114.17 101.7 9.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.997 0.427 . . . . 0.0 110.334 176.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -75.69 134.48 72.37 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.032 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.53 129.58 30.12 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.931 2.421 . . . . 0.0 111.95 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.832 ' HE2' ' HA ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -79.81 91.04 5.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.066 0.46 . . . . 0.0 110.126 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.1 p -69.38 139.88 54.18 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.861 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.492 ' HD2' ' O ' ' A' ' 8' ' ' ARG . 1.6 ppt_? -140.83 101.1 3.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.323 0.582 . . . . 0.0 111.001 177.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -134.19 -158.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.437 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 71.67 27.13 2.98 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.746 0.654 . . . . 0.0 111.177 174.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.7 t -119.48 105.75 11.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.426 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.15 140.9 17.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.129 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HB3' HD11 ' A' ' 16' ' ' ILE . 6.7 mpt_? -109.77 110.47 21.48 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 174.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -86.46 128.14 34.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.003 -174.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 m 61.99 93.46 0.05 OUTLIER 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.046 -0.979 . . . . 0.0 113.248 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.445 HD11 ' HB3' ' A' ' 13' ' ' ARG . 3.1 mt -125.7 164.33 25.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 173.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -96.55 110.08 22.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.983 0.421 . . . . 0.0 110.199 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -92.75 118.42 67.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.743 -177.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 18.2 Cg_exo -66.94 121.43 8.62 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.887 2.391 . . . . 0.0 111.933 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -77.9 148.85 34.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.544 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -97.96 140.55 32.14 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 120.762 0.315 . . . . 0.0 110.399 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.41 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 56.6 t -130.5 125.17 58.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 110.804 -175.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.1 t -92.05 131.92 37.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.984 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG21 HD11 ' A' ' 47' ' ' ILE . 15.4 m -117.41 146.03 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.439 0.637 . . . . 0.0 111.458 -177.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.8 t -105.49 -0.58 25.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.914 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.7 p -108.85 131.37 55.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.538 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -66.02 -22.99 66.48 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-O 121.061 0.458 . . . . 0.0 110.532 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -108.01 124.41 50.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.516 HG21 HG11 ' A' ' 54' ' ' VAL . 13.7 m -111.02 127.07 68.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.04 0.448 . . . . 0.0 110.94 -175.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.432 ' HB1' ' HD2' ' A' ' 42' ' ' ARG . . . -94.57 99.99 12.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.63 177.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.8 t -86.69 127.0 34.93 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.383 0.611 . . . . 0.0 109.973 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -120.82 5.01 10.5 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.163 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.592 ' HA3' ' CA ' ' A' ' 39' ' ' GLY . . . 91.53 -58.43 3.02 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.485 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.47 -129.44 1.81 Allowed Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -77.71 177.48 8.09 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.45 125.76 39.03 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.991 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 67.88 9.72 7.32 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.159 0.584 . . . . 0.0 111.654 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.77 34.45 5.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.592 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -160.92 -145.82 4.42 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.999 -177.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 59' ' ' CYS . 23.7 p80 -148.34 170.41 7.71 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -175.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.486 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 72.1 Cg_exo -50.64 134.06 39.53 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.222 1.948 . . . . 0.0 110.926 171.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.434 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 49.4 ttp180 -65.15 129.5 39.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.143 0.497 . . . . 0.0 111.493 -171.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.9 t -119.98 150.35 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.449 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -109.5 108.44 18.92 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.916 0.388 . . . . 0.0 110.708 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HB2' HG23 ' A' ' 29' ' ' VAL . 71.8 mt -106.68 170.25 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.61 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.6 t -132.85 140.9 48.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.953 0.406 . . . . 0.0 110.245 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.464 HD11 HG21 ' A' ' 24' ' ' VAL . 64.3 mt -82.46 128.25 67.66 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.98 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 25.6 Cg_exo -62.58 142.99 92.01 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.521 2.148 . . . . 0.0 110.664 174.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -90.37 -0.59 57.71 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 -164.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -108.19 -28.85 9.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.31 0.576 . . . . 0.0 110.337 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 6.7 p -86.37 -52.44 5.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.093 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.44 11.9 60.36 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.811 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -146.45 154.28 41.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.546 -0.384 . . . . 0.0 110.692 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.516 HG11 HG21 ' A' ' 29' ' ' VAL . 7.2 p -129.7 130.56 66.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.394 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -106.57 92.68 4.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.109 0.481 . . . . 0.0 110.276 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.47 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 15.2 m -67.07 106.8 2.07 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.426 178.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.72 -4.1 90.3 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.787 -0.721 . . . . 0.0 113.138 -175.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.33 -40.81 77.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.052 0.453 . . . . 0.0 110.636 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 11.6 t -124.21 -9.19 7.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.539 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 73.73 69.95 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.138 -174.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.47 ' HB2' ' HB2' ' A' ' 56' ' ' CYS . 40.3 mmt180 -125.59 120.13 29.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.581 -178.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -105.46 105.07 14.94 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.41 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 23.6 m-85 -101.19 134.1 44.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.41 -178.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.466 HG23 ' HD2' ' A' ' 68' ' ' PHE . 50.8 mm -101.33 126.41 55.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.563 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -71.47 146.63 48.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.626 ' HB2' HD22 ' A' ' 73' ' ' LEU . 16.9 pt-20 -52.51 -38.04 58.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.165 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.3 t -70.1 -31.76 69.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.873 0.368 . . . . 0.0 110.67 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.466 ' HD2' HG23 ' A' ' 64' ' ' ILE . 34.2 t80 -82.39 -17.8 44.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.009 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.23 -35.55 28.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.608 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 64.71 21.86 12.47 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.819 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.41 -175.1 4.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.528 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -68.45 119.79 13.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.197 0.522 . . . . 0.0 110.778 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.626 HD22 ' HB2' ' A' ' 66' ' ' GLU . 27.5 mt -99.83 130.92 46.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -49.65 6.35 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.707 -177.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 37.6 m170 49.7 54.68 10.6 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.346 0.593 . . . . 0.0 109.917 -177.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -69.77 148.5 49.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.84 -172.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 77.31 -168.89 0.06 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.076 0.86 . . . . 0.0 110.368 177.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -134.23 162.81 31.14 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -87.76 153.28 21.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.218 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.701 -0.666 . . . . 0.0 109.499 174.141 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.055 0.455 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -163.77 105.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.833 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -98.76 126.62 44.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.971 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -104.0 109.88 63.1 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.707 -178.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.68 99.44 0.85 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.581 2.187 . . . . 0.0 110.805 174.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -87.89 108.64 19.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.259 -174.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -87.23 93.03 9.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.889 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 8' ' ' ARG . 45.4 ttp180 -91.17 -22.29 20.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.999 -178.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 9' ' ' GLN . 0.3 OUTLIER -115.03 96.06 5.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.674 -178.51 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -87.75 114.75 24.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.5 t -159.93 143.42 14.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.015 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.87 124.38 30.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.126 0.266 . . . . 0.0 110.332 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -104.02 109.97 21.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.866 0.365 . . . . 0.0 110.103 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.4 ttt -126.7 75.98 1.6 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.22 0.533 . . . . 0.0 109.852 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.4 t -86.94 95.65 9.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.519 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 mt -140.57 158.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.866 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -161.73 84.78 0.61 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.46 98.99 8.82 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.351 -173.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -77.68 147.39 24.78 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 122.493 2.128 . . . . 0.0 110.573 173.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.31 96.24 0.34 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.627 HG21 HG12 ' A' ' 64' ' ' ILE . 9.7 m -104.99 149.84 25.43 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.272 -173.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.3 t -84.84 121.15 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 120.861 0.362 . . . . 0.0 110.437 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.49 125.08 42.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.921 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.9 m -123.71 156.11 30.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 121.282 0.563 . . . . 0.0 111.293 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 t -115.17 -3.92 12.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.182 176.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -94.84 134.0 37.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.446 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.52 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 99.0 m95 -78.69 -31.25 46.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 19.2 ptpt -99.17 106.65 18.85 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 170.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.64 151.92 4.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.102 0.477 . . . . 0.0 110.613 -173.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.38 103.25 9.95 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.252 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.3 t -83.9 124.84 31.41 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.18 -20.82 12.54 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.259 -169.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.73 -86.35 1.06 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.815 -175.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.14 -140.04 2.83 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -76.68 -179.55 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.003 0.43 . . . . 0.0 111.233 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.83 131.96 51.98 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.634 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 76.19 -28.64 0.18 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.678 0.791 . . . . 0.0 111.873 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.26 -28.06 29.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.228 0.537 . . . . 0.0 110.106 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -103.75 154.55 17.85 Favored Glycine 0 N--CA 1.441 -0.991 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.469 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.429 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 16.2 p80 -83.28 169.61 16.99 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 53.1 Cg_exo -53.53 143.55 55.45 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.248 1.966 . . . . 0.0 111.194 172.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -64.44 115.09 4.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.568 0.223 . . . . 0.0 110.723 -174.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.4 t -109.13 156.07 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -109.95 129.59 55.64 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.153 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -112.29 159.9 18.18 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.916 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.5 t -125.2 112.58 16.6 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.815 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 51.9 mt -84.53 124.13 73.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.438 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 23.5 Cg_exo -64.81 136.06 47.46 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.76 2.307 . . . . 0.0 111.353 176.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.52 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 20.4 m-70 -74.37 -16.04 60.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.26 -171.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.48 6.43 42.38 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.687 -178.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 p -122.14 -65.16 1.14 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.631 0.253 . . . . 0.0 110.644 175.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.09 23.03 23.66 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.856 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -152.9 153.71 33.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.778 -0.248 . . . . 0.0 110.416 178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.79 145.18 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.958 0.409 . . . . 0.0 110.479 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.62 138.46 40.93 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.74 122.94 18.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.074 0.464 . . . . 0.0 110.854 -176.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.73 43.01 3.1 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.753 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -162.81 -49.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.1 t -108.29 166.55 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.913 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -80.26 -2.25 44.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.13 0.49 . . . . 0.0 111.282 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -80.79 153.21 27.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.372 0.606 . . . . 0.0 111.929 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -126.4 150.35 48.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.938 -173.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -126.71 132.39 51.15 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.992 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.627 HG12 HG21 ' A' ' 21' ' ' THR . 45.6 mm -125.21 130.04 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.859 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -69.58 145.53 52.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.38 -30.9 42.27 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.6 t -72.89 -23.09 60.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.709 0.29 . . . . 0.0 111.12 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -93.47 -12.38 29.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.097 0.475 . . . . 0.0 110.317 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.64 -8.87 51.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.979 -176.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.83 -26.76 66.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.026 0.441 . . . . 0.0 110.979 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.74 9.85 15.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 -177.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -90.09 -13.9 34.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.091 0.472 . . . . 0.0 110.154 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.6 mt -94.96 165.55 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.794 -176.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -84.33 5.42 27.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.43 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -78.78 110.16 13.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.781 0.325 . . . . 0.0 111.622 -173.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -151.3 106.87 3.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.23 0.538 . . . . 0.0 109.673 172.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -140.41 131.26 25.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.249 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 52.3 m-70 -128.9 -174.05 3.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.948 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 78' ' ' HIS . 8.3 m-70 74.41 -0.05 3.45 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.06 0.544 . . . . 0.0 112.015 175.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.503 -0.761 . . . . 0.0 109.599 175.733 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.705 0.288 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.7 ttm105 -154.53 106.58 2.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.142 0.496 . . . . 0.0 111.302 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 3' ' ' ARG . 14.2 ttm180 -116.33 147.04 41.96 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 170.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 47.8 mt-30 -60.21 112.79 6.0 Favored Pre-proline 0 C--O 1.234 0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.765 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 4' ' ' GLN . 5.9 Cg_endo -85.7 155.01 10.29 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.189 2.593 . . . . 0.0 112.163 -176.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -95.99 2.5 53.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.956 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.1 m 61.61 30.58 18.67 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.599 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -125.04 84.95 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.987 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -103.24 2.49 34.36 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -77.65 141.05 39.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.218 -1.356 . . . . 0.0 109.259 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.9 t -75.11 85.86 2.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.753 0.311 . . . . 0.0 110.225 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 58.22 -157.67 0.3 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.56 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -100.56 169.13 9.27 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 174.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -76.17 137.66 40.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.716 0.294 . . . . 0.0 110.312 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.9 m -103.95 101.14 10.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.761 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.666 ' H ' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -97.05 158.04 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 175.255 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 57.58 -163.7 0.18 Allowed 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.451 0.469 . . . . 0.0 111.506 -177.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.485 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . . . -137.01 98.07 10.64 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.62 175.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.485 ' HD2' ' HA ' ' A' ' 18' ' ' ALA . 9.5 Cg_endo -52.48 133.53 49.31 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.186 2.591 . . . . 0.0 111.93 -178.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -90.23 104.83 17.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.688 0.756 . . . . 0.0 111.061 -175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -99.48 118.59 36.42 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.376 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.419 ' HB ' ' HD1' ' A' ' 63' ' ' TYR . 47.0 t -94.73 128.73 45.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.277 -173.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -85.34 124.93 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.03 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.2 m -123.9 157.74 30.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.896 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -108.87 -8.83 15.21 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.279 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 m -106.87 141.65 37.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.205 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -82.76 -47.02 12.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.999 0.428 . . . . 0.0 109.987 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -90.56 100.04 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.8 m -108.01 146.11 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.758 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.08 102.55 15.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.398 174.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.8 t -71.06 156.34 39.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.544 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -174.16 89.84 0.07 Allowed 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -166.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.578 ' HA3' ' HA3' ' A' ' 39' ' ' GLY . . . -38.3 -42.58 1.3 Allowed Glycine 0 N--CA 1.464 0.566 0 CA-C-N 114.276 -1.329 . . . . 0.0 115.694 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.92 -169.03 42.19 Favored Glycine 0 C--N 1.316 -0.545 0 C-N-CA 120.124 -1.036 . . . . 0.0 113.145 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -80.31 147.57 31.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.959 0.409 . . . . 0.0 110.877 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.73 -123.18 21.78 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.581 -0.736 . . . . 0.0 113.197 175.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.48 21.4 16.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.122 0.487 . . . . 0.0 111.039 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.8 mt -97.44 131.16 44.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.988 177.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.578 ' HA3' ' HA3' ' A' ' 33' ' ' GLY . . . 98.39 -128.01 9.42 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.282 178.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -147.74 163.0 29.56 Favored Pre-proline 0 C--N 1.313 -0.981 0 CA-C-N 115.022 -0.589 . . . . 0.0 110.081 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.53 158.17 13.56 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.792 2.328 . . . . 0.0 112.209 175.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -72.27 124.72 25.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.292 0.568 . . . . 0.0 111.331 -174.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.8 t -123.73 160.85 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.343 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -106.45 125.28 50.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.712 0.291 . . . . 0.0 110.718 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.5 mt -115.28 167.64 10.67 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.5 m -143.36 113.2 7.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.927 0.394 . . . . 0.0 110.377 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.452 HG12 ' CG1' ' A' ' 54' ' ' VAL . 49.2 mt -77.9 126.83 83.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.627 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -62.3 134.88 50.9 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.686 2.257 . . . . 0.0 111.689 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -75.8 -18.02 59.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.109 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -84.99 -17.85 36.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.312 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 p -99.81 -55.47 2.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.762 0.315 . . . . 0.0 111.108 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.45 -5.26 60.48 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 121.121 -0.562 . . . . 0.0 111.949 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -149.47 162.73 39.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.452 ' CG1' HG12 ' A' ' 47' ' ' ILE . 12.0 p -148.59 143.58 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.836 0.35 . . . . 0.0 110.479 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.74 132.88 42.97 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 48.5 t -76.95 135.05 38.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.836 0.35 . . . . 0.0 110.352 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.44 38.69 3.0 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.776 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -154.81 -56.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.8 t -99.43 166.89 10.96 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -91.78 -7.09 50.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.204 0.526 . . . . 0.0 110.628 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.59 125.61 25.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.95 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -100.65 139.91 35.67 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.419 ' HD1' ' HB ' ' A' ' 22' ' ' VAL . 19.9 m-85 -111.27 131.58 55.03 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.725 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.672 HD11 ' HD2' ' A' ' 68' ' ' PHE . 14.3 tt -134.26 139.94 47.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.941 177.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -75.89 140.72 42.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -58.53 -29.72 66.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -174.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.8 p -69.68 -25.4 63.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 110.818 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.672 ' HD2' HD11 ' A' ' 64' ' ' ILE . 38.1 t80 -75.29 -22.81 57.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.042 0.449 . . . . 0.0 110.468 -176.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -104.01 5.11 35.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.06 10.41 38.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.097 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.69 106.73 18.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -156.37 149.05 23.77 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.6 mt -88.39 173.6 8.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.037 0.446 . . . . 0.0 111.398 -176.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -87.8 -73.87 0.47 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.476 0.655 . . . . 0.0 109.401 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -140.73 149.89 42.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.37 175.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -132.86 102.86 5.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.352 0.596 . . . . 0.0 111.475 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -104.1 142.93 33.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.607 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -140.85 3.63 1.85 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.227 0.536 . . . . 0.0 109.962 175.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -138.51 127.63 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.397 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.3 m80 . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.415 -0.802 . . . . 0.0 110.41 -179.435 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.67 100.88 8.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 0.0 110.654 176.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -159.61 118.16 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.432 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -151.3 101.91 2.96 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.241 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -90.61 152.95 4.27 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.036 2.49 . . . . 0.0 114.042 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 35.2 ttpt -115.13 9.96 16.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.966 174.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 p -80.25 85.73 5.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.608 -173.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -131.16 111.74 12.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.401 170.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -112.66 116.58 30.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.353 0.597 . . . . 0.0 110.879 -178.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -89.57 26.79 1.63 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.679 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 t -140.36 115.93 10.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.298 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.82 -39.67 26.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.943 0.401 . . . . 0.0 110.913 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -102.52 91.94 4.45 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.202 0.525 . . . . 0.0 110.502 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.9 ttt -159.24 -40.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.095 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 t -112.79 140.27 47.71 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.827 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.536 HG22 ' H ' ' A' ' 17' ' ' GLU . 3.2 mt -109.68 175.33 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -177.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' H ' HG22 ' A' ' 16' ' ' ILE . 12.5 mm-40 -55.91 132.51 49.9 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 123.201 0.313 . . . . 0.0 110.299 176.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.95 120.29 18.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 O-C-N 123.64 0.588 . . . . 0.0 111.464 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -83.72 -179.89 4.42 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.69 2.26 . . . . 0.0 112.979 -177.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.579 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -99.29 20.0 14.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.754 0.787 . . . . 0.0 110.718 -178.627 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 m -108.3 133.18 52.87 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 114.062 -1.426 . . . . 0.0 110.235 -175.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.592 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 45.0 t -124.17 141.71 43.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.199 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.6 t -89.69 127.73 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.361 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.457 HG21 HD11 ' A' ' 47' ' ' ILE . 25.3 m -110.18 145.32 16.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.636 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.8 t -106.95 -8.69 16.52 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.381 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.5 p -119.74 153.55 35.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.172 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -79.25 -10.38 59.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.239 0.543 . . . . 0.0 111.279 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -134.78 130.08 35.57 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.42 178.67 5.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.327 0.584 . . . . 0.0 111.672 -169.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.11 118.81 26.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.19 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 42.4 t -83.62 133.34 34.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -116.61 3.29 13.11 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.155 -170.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.44 156.16 6.72 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.399 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -111.73 170.61 13.76 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.148 -0.548 . . . . 0.0 111.786 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.579 ' HG3' ' HB3' ' A' ' 20' ' ' GLU . 64.2 mm-40 -64.39 155.56 32.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.009 0.433 . . . . 0.0 111.316 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.5 -131.67 24.43 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.655 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.92 9.99 37.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.022 0.439 . . . . 0.0 110.746 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.5 mt -89.73 31.82 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.17 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.04 149.93 33.32 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.741 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.0 p80 -157.85 163.6 24.13 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -177.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.67 151.62 84.23 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.473 2.115 . . . . 0.0 111.23 172.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 21.9 ttm180 -59.56 125.01 21.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.005 0.431 . . . . 0.0 111.848 -174.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.3 t -120.46 157.95 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.501 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -100.21 128.55 46.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.387 0.275 . . . . 0.0 110.55 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -122.5 164.09 18.73 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.821 0.343 . . . . 0.0 111.001 -177.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.3 t -129.67 122.79 29.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.478 HG12 ' HB ' ' A' ' 54' ' ' VAL . 65.7 mt -75.35 123.03 88.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.278 -175.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 38.5 Cg_exo -60.22 117.41 4.16 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.899 2.399 . . . . 0.0 111.937 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -75.12 -0.58 19.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.2 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.1 -37.51 78.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.232 0.539 . . . . 0.0 110.555 176.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.9 p -119.06 -42.15 2.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.575 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.39 6.7 44.2 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.246 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -124.59 147.59 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.559 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 6.8 p -113.22 116.84 53.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.552 0.692 . . . . 0.0 110.723 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -96.23 116.21 28.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.084 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 36.1 t -79.93 138.51 37.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.797 0.332 . . . . 0.0 110.825 -177.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -101.59 -6.2 50.48 Favored Glycine 0 N--CA 1.451 -0.32 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.89 -39.01 17.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.9 0.381 . . . . 0.0 110.881 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.7 p -148.55 -178.92 6.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.418 -175.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -84.01 42.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.289 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.493 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 20.6 mmt180 -100.95 130.51 46.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.298 -178.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -128.22 120.52 27.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.842 172.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.592 ' CD2' ' HB ' ' A' ' 22' ' ' VAL . 91.5 m-85 -110.58 134.1 52.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.973 0.416 . . . . 0.0 110.926 -176.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.7 mm -109.77 124.94 66.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.559 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -72.49 138.23 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -53.9 -30.5 46.39 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 123.413 0.446 . . . . 0.0 112.182 -177.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.9 t -69.73 -25.79 64.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.372 . . . . 0.0 110.795 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -104.35 -3.43 24.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.297 0.57 . . . . 0.0 110.102 179.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.86 -18.91 31.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.62 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 60.1 60.11 2.19 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.068 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.64 79.67 2.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.604 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -71.6 -41.67 68.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.0 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.58 178.35 5.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.775 -176.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 68.3 98.62 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.995 0.809 . . . . 0.0 110.334 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -134.99 108.7 8.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.02 -176.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 69.87 -175.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.038 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 36.6 m170 66.3 -177.59 0.19 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.781 -174.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -96.43 107.86 20.32 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 168.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -64.28 -16.24 61.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.385 -172.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.4 m170 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.392 175.385 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.6 tpp . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.516 0.198 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -75.96 -45.79 33.08 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -87.37 72.49 9.76 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -143.01 86.99 8.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.818 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -92.18 145.54 2.87 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 123.08 2.52 . . . . 0.0 112.711 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -92.6 132.3 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.5 m -124.08 114.04 19.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.02 0.438 . . . . 0.0 110.706 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -94.94 116.17 28.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.486 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -72.97 139.66 46.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.191 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -92.73 23.79 3.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.953 0.406 . . . . 0.0 111.366 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 m -81.36 79.84 7.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.521 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.45 -33.56 67.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.654 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 13' ' ' ARG . 10.6 ttm180 -152.51 122.82 7.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.208 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.6 tpt -155.36 21.6 0.42 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.901 0.858 . . . . 0.0 109.204 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 m -127.45 164.78 21.14 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.021 -173.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 17' ' ' GLU . 1.4 mp -130.04 171.29 17.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.53 ' H ' HG22 ' A' ' 16' ' ' ILE . 16.5 mm-40 67.88 -163.79 0.21 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 122.607 0.363 . . . . 0.0 110.623 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -128.54 142.43 44.78 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.597 -179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 16.5 Cg_exo -68.4 113.74 3.22 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.779 2.319 . . . . 0.0 111.834 177.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -71.7 110.2 6.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.066 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -96.18 127.04 41.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.408 -176.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -116.03 134.16 60.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.513 -177.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.3 t -103.43 126.04 57.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.322 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 65' ' ' HIS . 15.7 m -136.5 158.2 37.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.048 0.451 . . . . 0.0 111.364 -175.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.9 t -104.24 -20.54 13.75 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 28' ' ' LYS . 8.2 m -72.65 132.88 44.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.151 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' A' ' 46' ' ' SER . 99.9 m95 -82.98 -12.3 57.4 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.774 0.286 . . . . 0.0 111.774 -175.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' H ' HG22 ' A' ' 26' ' ' THR . 90.6 mttt -132.56 124.12 27.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.8 0.333 . . . . 0.0 110.807 176.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.51 157.3 32.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.051 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.23 109.96 22.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.4 t -95.18 125.15 39.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.31 0.576 . . . . 0.0 109.693 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -138.3 20.73 2.77 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.553 -173.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.49 ' HA3' ' HA3' ' A' ' 39' ' ' GLY . . . 87.39 -110.88 3.62 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.931 -175.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -109.69 -109.29 3.22 Favored Glycine 0 CA--C 1.501 -0.813 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.98 176.52 2.06 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.999 -0.601 . . . . 0.0 109.916 171.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.55 115.55 4.94 Favored Glycine 0 N--CA 1.454 -0.14 0 C-N-CA 121.265 -0.493 . . . . 0.0 113.058 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 66.21 19.89 11.09 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.467 0.707 . . . . 0.0 111.837 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -101.42 74.81 1.56 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.847 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.49 ' HA3' ' HA3' ' A' ' 33' ' ' GLY . . . 155.2 -138.34 6.05 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.518 -177.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -89.57 162.82 35.35 Favored Pre-proline 0 C--N 1.318 -0.775 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' O ' HG23 ' A' ' 43' ' ' VAL . 64.7 Cg_exo -52.58 138.1 58.08 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.501 2.134 . . . . 0.0 111.948 175.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.498 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 23.8 ttp180 -57.94 119.71 7.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.359 0.6 . . . . 0.0 112.378 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 41' ' ' PRO . 12.2 t -125.7 157.96 34.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.29 177.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -107.93 109.83 21.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.842 0.353 . . . . 0.0 110.311 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.1 162.3 13.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.536 -176.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 6.7 t -125.6 146.47 49.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.191 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.552 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 56.5 mt -80.73 120.86 80.25 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.538 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.36 124.7 15.7 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.656 2.237 . . . . 0.0 111.43 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -76.66 -6.74 53.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.685 -175.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.457 ' HG3' HG23 ' A' ' 51' ' ' THR . 13.8 pt-20 -83.52 -25.1 31.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.823 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.515 ' HB ' ' CE1' ' A' ' 53' ' ' PHE . 7.9 p -111.21 -50.0 2.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.508 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.87 6.61 42.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.811 -176.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.515 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 42.9 p90 -153.11 155.55 36.98 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.552 ' HB ' ' HA ' ' A' ' 47' ' ' ILE . 5.7 p -125.8 122.11 61.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.357 0.598 . . . . 0.0 111.35 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.31 122.9 38.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.891 172.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 51.9 t -63.85 134.1 54.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.885 0.374 . . . . 0.0 110.416 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.21 -1.69 88.31 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.608 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -104.67 -32.49 8.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.804 0.335 . . . . 0.0 111.09 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 48.5 t -155.65 168.01 28.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -78.98 39.57 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.938 0.875 . . . . 0.0 111.07 -176.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HD3' ' HA ' ' A' ' 61' ' ' ARG . 20.0 mmt180 -78.85 112.29 15.85 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 170.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -119.51 113.21 20.4 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.29 -170.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -103.91 131.81 50.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.814 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.501 HD13 ' HB2' ' A' ' 53' ' ' PHE . 15.8 mm -113.46 137.83 45.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.834 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 50.5 t-80 -74.12 145.42 44.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 67' ' ' SER . 13.8 pt-20 -52.03 -39.34 59.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.232 -177.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 16.4 t -80.26 -16.98 53.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.601 0.239 . . . . 0.0 111.233 -173.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -90.77 -22.7 20.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 109.758 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.17 -54.44 5.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.253 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -131.54 -73.85 0.53 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.299 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -173.12 148.19 1.67 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.264 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 67' ' ' SER . 72.9 tttt -86.42 146.46 26.42 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 173.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 73' ' ' LEU . 5.6 mp -70.6 127.06 31.41 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 174.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -70.19 127.83 34.16 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.631 -170.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -141.01 19.84 2.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.812 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -129.42 89.06 2.78 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -122.62 145.92 47.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.477 0.656 . . . . 0.0 112.568 -172.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -106.32 -177.92 3.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.81 -1.086 . . . . 0.0 108.382 168.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -141.65 97.95 3.25 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.5 t60 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.597 -0.716 . . . . 0.0 110.066 -178.6 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.6 mtt . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 2' ' ' ARG . 22.4 ttm-85 -72.69 133.69 44.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.815 0.341 . . . . 0.0 110.164 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.15 86.74 2.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.34 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.428 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 35.5 tt0 -104.32 126.58 31.16 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.431 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 4' ' ' GLN . 11.7 Cg_exo -70.26 73.98 1.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.785 2.323 . . . . 0.0 111.157 175.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -67.47 116.38 8.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.898 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 t -160.18 168.32 25.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.91 0.386 . . . . 0.0 110.409 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -137.94 141.27 40.56 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 175.804 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -115.0 114.49 25.48 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -104.67 105.61 15.76 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.0 m -79.52 69.72 5.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.279 0.561 . . . . 0.0 110.803 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.19 158.7 31.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.81 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -106.94 135.82 47.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.252 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.6 ptp -134.51 140.47 46.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.879 0.371 . . . . 0.0 110.727 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.9 m -94.4 109.13 21.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.815 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.759 ' H ' HD12 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -80.77 158.19 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.481 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 1.0 OUTLIER -106.36 161.04 14.92 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.643 -177.372 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.427 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . . . -99.02 119.84 59.88 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.765 -178.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 18' ' ' ALA . 30.7 Cg_endo -65.23 141.59 69.67 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.843 2.362 . . . . 0.0 111.408 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.12 102.64 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.225 0.536 . . . . 0.0 109.725 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -90.08 142.86 27.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.775 -172.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -120.52 128.29 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.796 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.24 122.92 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.215 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.8 m -121.3 154.08 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.224 0.535 . . . . 0.0 111.551 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 m -97.97 -6.89 31.13 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.323 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 m -109.6 129.02 55.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.344 -176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -71.69 -41.84 68.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.904 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -111.66 112.01 23.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.224 0.535 . . . . 0.0 110.054 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.9 m -122.33 155.88 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.53 -172.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.81 116.79 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.97 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.7 t -96.08 138.39 33.77 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -128.85 11.87 6.17 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.583 0.706 . . . . 0.0 110.254 -172.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.16 -73.88 2.4 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.527 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.12 -138.92 3.73 Favored Glycine 0 C--N 1.313 -0.699 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -123.41 146.14 48.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.48 -105.29 2.7 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.819 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.8 78.07 1.61 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 120.96 0.409 . . . . 0.0 110.02 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -157.1 123.22 4.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.356 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.52 -140.2 11.55 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.332 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -110.62 166.53 10.59 Favored Pre-proline 0 C--N 1.314 -0.939 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.453 ' O ' HG23 ' A' ' 43' ' ' VAL . 50.7 Cg_exo -54.74 146.47 55.0 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.174 1.916 . . . . 0.0 111.049 173.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -64.59 115.52 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 41' ' ' PRO . 10.9 t -115.75 156.92 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.045 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -105.79 119.01 38.05 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.877 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -105.0 165.62 10.95 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.663 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.1 t -139.12 113.25 8.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.48 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.5 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 68.5 mt -75.3 121.18 84.67 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.457 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.44 123.97 14.16 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.413 2.075 . . . . 0.0 111.341 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -71.56 -17.63 62.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.422 -176.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -88.57 -3.87 58.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.003 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.9 m -117.48 -46.03 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.13 -26.34 24.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.406 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -136.83 156.47 48.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 63' ' ' TYR . 14.0 p -111.44 134.37 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.041 0.448 . . . . 0.0 110.548 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -101.65 109.07 20.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 42.4 t -76.84 143.46 39.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.136 0.493 . . . . 0.0 111.031 -176.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.37 -16.34 57.34 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.943 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -84.53 -29.95 25.52 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.683 0.278 . . . . 0.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 33.8 t -156.36 160.61 39.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 19' ' ' PRO . 30.5 t70 -86.81 32.42 0.67 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.83 0.824 . . . . 0.0 110.628 -176.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -82.27 118.48 23.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.15 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -91.63 112.3 24.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.655 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' HB2' HG12 ' A' ' 54' ' ' VAL . 93.3 m-85 -103.59 111.57 24.1 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.593 HD11 ' HD2' ' A' ' 68' ' ' PHE . 11.0 tt -113.55 136.5 49.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.806 0.336 . . . . 0.0 110.174 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -76.31 141.73 41.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -60.29 -19.25 54.2 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -175.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.0 t -64.39 -35.67 81.65 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.593 ' HD2' HD11 ' A' ' 64' ' ' ILE . 12.9 t80 -78.79 -19.18 52.8 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.338 0.589 . . . . 0.0 109.696 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.12 -27.06 23.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.68 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -30.07 70.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.08 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.43 68.06 4.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.256 0.551 . . . . 0.0 109.769 174.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -70.79 -52.29 21.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.905 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.5 mt -88.94 125.56 35.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.187 0.518 . . . . 0.0 109.899 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -106.39 -37.96 6.35 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.983 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.3 m80 62.95 -98.43 0.07 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.387 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.4 p80 175.14 154.6 0.15 Allowed 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -87.25 -83.67 0.2 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.26 98.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 111.426 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -73.6 -51.07 18.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 168.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.974 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.064 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtm . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.906 0.384 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -148.97 111.9 4.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 3' ' ' ARG . 53.2 mtt-85 -81.7 43.14 0.74 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.059 0.457 . . . . 0.0 111.345 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -73.85 143.43 81.3 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 175.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -40.66 105.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.218 2.612 . . . . 0.0 112.562 178.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -62.21 139.49 58.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.62 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.9 m -59.2 106.3 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.907 -173.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -98.64 79.36 2.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.249 177.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.69 21.86 16.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.153 -175.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -91.19 101.0 13.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.187 0.518 . . . . 0.0 109.849 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.0 t -103.36 11.11 37.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.16 -174.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.06 134.84 22.36 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.82 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -123.26 108.22 12.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.307 0.575 . . . . 0.0 110.004 175.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.5 mtt -111.27 103.29 11.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.517 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -82.52 80.97 8.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.445 0.64 . . . . 0.0 110.373 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.462 HG22 ' H ' ' A' ' 17' ' ' GLU . 3.8 mt -89.83 166.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.484 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.462 ' H ' HG22 ' A' ' 16' ' ' ILE . 1.9 tp10 -73.73 86.78 1.69 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.526 -177.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 66.26 90.54 0.09 OUTLIER Pre-proline 0 N--CA 1.465 0.314 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.204 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.16 176.75 9.14 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.67 2.247 . . . . 0.0 112.26 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.84 102.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.696 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -119.46 107.41 13.29 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.535 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.2 t -122.11 100.62 8.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.493 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.4 t -93.25 127.41 45.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.232 -177.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 65' ' ' HIS . 17.2 m -137.11 153.6 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.5 m -102.84 7.93 39.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.511 0.672 . . . . 0.0 109.717 173.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.0 m -105.8 135.05 47.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.571 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -88.72 -56.18 3.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.892 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -81.97 112.3 18.94 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 m -122.08 138.04 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-O 121.116 0.484 . . . . 0.0 111.282 -173.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.25 101.0 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.911 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -84.68 142.89 29.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -138.83 24.21 2.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.736 0.779 . . . . 0.0 109.233 -173.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.6 -136.29 14.48 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.768 -176.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.56 -90.65 0.96 Allowed Glycine 0 CA--C 1.502 -0.759 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -79.76 -178.25 6.31 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 114.642 -0.779 . . . . 0.0 109.614 169.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.59 116.16 8.53 Favored Glycine 0 C--O 1.235 0.21 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.886 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 65.12 14.88 9.68 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.487 0.715 . . . . 0.0 111.59 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -95.49 86.73 4.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -178.494 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.35 -59.49 0.62 Allowed Glycine 0 CA--C 1.498 -0.993 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.656 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.5 p80 -166.19 160.38 12.58 Favored Pre-proline 0 C--N 1.301 -1.5 0 CA-C-N 113.957 -1.122 . . . . 0.0 110.094 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.09 171.47 7.55 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.816 2.344 . . . . 0.0 112.204 176.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -66.43 119.31 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.88 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -119.49 152.37 22.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -97.8 112.27 24.24 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.451 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.08 163.29 15.38 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.2 t -140.14 117.71 11.53 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.981 0.42 . . . . 0.0 110.103 178.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.483 HG12 ' CG1' ' A' ' 54' ' ' VAL . 58.5 mt -68.82 122.86 86.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.742 176.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 6.4 Cg_endo -50.44 131.38 32.1 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.721 2.281 . . . . 0.0 111.644 178.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -79.31 6.54 9.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.945 -166.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -124.01 -34.86 2.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.833 -174.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.47 -43.25 12.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.729 0.299 . . . . 0.0 110.911 178.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.543 ' HA3' ' CD2' ' A' ' 68' ' ' PHE . . . 89.3 15.22 59.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.781 172.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -149.27 154.75 39.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.483 ' CG1' HG12 ' A' ' 47' ' ' ILE . 14.5 p -143.85 135.41 22.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.313 0.578 . . . . 0.0 110.726 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -103.89 115.74 31.01 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 46.2 t -58.98 105.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 111.305 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.57 44.62 3.25 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.389 -0.685 . . . . 0.0 111.389 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -149.48 -44.67 0.14 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 50.8 t -102.02 -83.39 0.46 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.391 175.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 59' ' ' CYS . 24.9 t70 169.34 -35.5 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.702 0.626 . . . . 0.0 110.212 -178.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -60.17 144.76 49.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.75 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -103.52 142.14 34.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -121.42 144.28 48.76 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -141.7 147.61 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.937 0.399 . . . . 0.0 111.242 -178.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 44.6 t-80 -77.75 148.53 34.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.109 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -58.27 -32.84 68.78 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -175.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 t -68.84 -31.78 71.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.167 0.508 . . . . 0.0 110.83 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.543 ' CD2' ' HA3' ' A' ' 52' ' ' GLY . 97.0 m-85 -96.5 -7.0 35.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.11 0.481 . . . . 0.0 111.346 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -103.86 -63.9 1.15 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.532 -176.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.25 -61.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -174.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.41 ' C ' ' HD2' ' A' ' 72' ' ' LYS . . . 55.82 -103.0 0.16 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.719 0.637 . . . . 0.0 111.219 -176.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 71' ' ' ALA . 2.2 mptp? -142.1 -79.0 0.24 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.92 0.391 . . . . 0.0 111.624 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.0 mt -126.55 153.23 45.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.17 -173.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.93 -65.92 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 173.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -137.91 164.88 27.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.344 -1.298 . . . . 0.0 108.193 171.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -72.38 103.35 3.41 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -55.65 137.9 48.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.081 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -125.36 117.23 23.27 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.901 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -67.43 130.69 43.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.7 p80 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 119.347 -0.359 . . . . 0.0 110.32 176.817 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.524 0.202 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.5 mtm105 -62.35 108.34 1.08 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.208 0.527 . . . . 0.0 110.267 176.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -101.0 166.78 10.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.75 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -90.44 120.32 69.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.811 176.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.93 137.45 34.99 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.119 1.879 . . . . 0.0 111.369 176.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.56 118.5 9.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.958 0.409 . . . . 0.0 110.33 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -74.05 142.0 45.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.315 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -109.26 109.21 20.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.031 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -90.18 73.14 7.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.328 0.585 . . . . 0.0 110.0 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -134.73 121.81 21.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.875 -176.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 t -133.26 21.9 4.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.367 0.603 . . . . 0.0 109.809 175.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.99 107.92 16.64 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.334 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 13' ' ' ARG . 37.8 ttm180 -91.14 143.91 26.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.701 -177.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.5 mmt 58.2 68.37 0.84 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.648 0.593 . . . . 0.0 110.858 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.0 t -116.78 100.9 8.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 17' ' ' GLU . 2.4 mp -99.15 168.83 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -178.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' H ' HG22 ' A' ' 16' ' ' ILE . 28.6 tt0 -160.05 85.1 0.74 Allowed 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.054 -175.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . 70.42 137.32 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.367 0 O-C-N 124.149 0.906 . . . . 0.0 112.798 176.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 14.7 Cg_exo -69.84 171.86 13.77 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.608 2.205 . . . . 0.0 111.593 174.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.42 114.19 1.9 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.278 0.561 . . . . 0.0 112.206 -175.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 t -100.77 125.62 47.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.943 174.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.51 126.01 62.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.919 -175.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.435 ' CG1' ' HA ' ' A' ' 66' ' ' GLU . 47.3 t -88.89 122.14 39.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.451 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 m -128.1 148.23 32.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.473 0.654 . . . . 0.0 111.637 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 p -91.36 -7.92 49.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.137 176.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 m -98.13 137.87 36.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.33 -177.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -81.29 -39.5 25.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.912 0.387 . . . . 0.0 110.425 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -96.0 114.34 26.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.716 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 45' ' ' LEU . 12.0 m -116.69 130.94 70.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.318 0.58 . . . . 0.0 111.164 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.11 104.59 17.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.58 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 t -82.23 139.41 34.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -178.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -127.95 13.69 6.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.477 -173.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.4 -90.49 1.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.678 -0.692 . . . . 0.0 113.21 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -125.61 -153.59 8.49 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.188 -176.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -113.02 173.05 6.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.7 0.286 . . . . 0.0 110.502 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.62 -103.82 1.19 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.517 -0.849 . . . . 0.0 111.438 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -140.43 24.55 2.27 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.155 0.503 . . . . 0.0 109.863 176.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -105.98 150.84 25.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.956 -176.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.32 -146.8 18.88 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.282 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.537 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 25.9 p80 -117.78 163.3 24.87 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.537 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 30.4 Cg_endo -63.03 167.16 12.79 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.504 2.136 . . . . 0.0 112.053 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 ttm105 -56.04 118.69 4.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.685 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 t -119.99 157.15 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -108.81 116.93 32.93 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.066 0.46 . . . . 0.0 111.14 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.525 ' HB2' HG23 ' A' ' 29' ' ' VAL . 89.9 mt -114.83 162.52 16.77 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.0 t -140.0 129.74 24.52 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.5 mt -71.99 114.3 27.82 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.528 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.64 135.37 35.7 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.49 2.127 . . . . 0.0 111.535 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -74.38 0.38 14.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.255 0.55 . . . . 0.0 110.047 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HG3' HG23 ' A' ' 51' ' ' THR . 11.7 pt-20 -97.76 -13.99 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.966 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.465 HG23 ' HG3' ' A' ' 50' ' ' GLU . 32.2 p -120.54 -48.74 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 111.758 -177.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.0 -6.03 53.74 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.648 -0.786 . . . . 0.0 111.995 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -158.03 167.01 31.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.2 p -139.92 138.25 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.941 0.401 . . . . 0.0 110.593 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -106.15 134.47 49.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.713 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.7 t -75.02 146.52 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.352 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -95.98 -17.82 33.85 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.149 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -90.87 -57.77 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.355 0.598 . . . . 0.0 110.427 177.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -103.06 167.96 9.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.58 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.53 6.11 39.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.013 0.435 . . . . 0.0 110.8 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -73.28 148.59 43.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.318 -178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 62' ' ' ARG . 13.8 ttm180 -122.99 147.1 47.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.169 -175.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -125.95 122.65 36.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.6 mt -122.84 142.99 37.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.383 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.85 143.66 55.66 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.018 0.437 . . . . 0.0 111.045 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.435 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 8.7 pt-20 -48.76 -39.74 26.13 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.222 -0.899 . . . . 0.0 113.407 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 71.1 m -70.42 -17.82 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -173.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -81.06 -22.52 39.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.231 0.538 . . . . 0.0 110.297 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.33 3.46 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.579 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.57 -37.95 49.44 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.224 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 67.27 -63.12 0.3 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.985 0.803 . . . . 0.0 112.355 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -99.19 108.69 21.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.869 0.366 . . . . 0.0 110.043 -179.621 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.6 mt -88.85 -173.42 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.489 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -36.31 72.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.723 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -79.16 88.31 4.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.117 174.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -73.4 114.16 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.029 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -80.09 16.71 1.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.202 0.525 . . . . 0.0 110.749 -178.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -65.38 -30.49 71.32 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -103.61 138.31 40.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.851 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.473 176.903 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -115.18 131.09 57.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -163.32 113.6 1.36 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 38.39 76.02 0.51 Allowed Pre-proline 0 N--CA 1.473 0.688 0 O-C-N 124.442 1.089 . . . . 0.0 113.05 -177.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -86.87 -171.59 0.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.759 2.306 . . . . 0.0 112.169 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -120.64 109.63 15.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.974 0.416 . . . . 0.0 110.105 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -68.25 134.51 50.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.122 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -58.31 124.26 18.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.302 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -92.29 171.48 9.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.28 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 58.26 25.87 13.19 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.141 0.496 . . . . 0.0 110.9 -174.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.0 t -95.21 11.76 31.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.404 0.621 . . . . 0.0 110.273 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.54 153.8 36.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.125 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -105.84 111.1 23.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.3 ttt -80.59 67.67 6.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.247 0.546 . . . . 0.0 111.05 -175.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.9 t -160.13 79.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.356 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -141.38 159.73 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -178.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -140.4 164.91 28.86 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.453 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -154.76 127.83 4.23 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.026 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 33.6 Cg_exo -59.98 140.26 91.91 Favored 'Trans proline' 0 C--O 1.237 0.461 0 C-N-CA 122.884 2.389 . . . . 0.0 112.383 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 43.4 mt-10 59.68 50.78 6.84 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.768 -175.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.0 t -89.37 142.77 27.36 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -112.46 127.12 69.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.565 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 46.8 t -87.92 118.45 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.9 m -118.77 156.12 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.028 -172.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -105.97 -3.04 22.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.897 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -107.61 134.79 50.1 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.043 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -80.06 -35.06 37.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 110.957 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 45' ' ' LEU . 30.3 mtpp -96.85 105.77 17.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 176.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.72 138.23 31.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.157 0.503 . . . . 0.0 111.502 -174.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.59 103.29 15.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.623 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 36.3 t -103.54 139.68 38.54 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.093 0.473 . . . . 0.0 110.459 -176.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -135.66 19.77 3.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.172 0.987 . . . . 0.0 108.525 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' HA3' ' HA3' ' A' ' 39' ' ' GLY . . . 72.37 -112.29 3.95 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.912 -172.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -114.5 -41.5 0.87 Allowed Glycine 0 CA--C 1.5 -0.897 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.667 ' HB2' HD12 ' A' ' 38' ' ' LEU . 5.4 mm-40 -157.86 170.59 22.0 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 113.349 -1.426 . . . . 0.0 108.732 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.61 124.61 34.09 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.12 177.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 74.98 -10.39 1.22 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.594 0.758 . . . . 0.0 111.903 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 35' ' ' GLU . 83.3 mt -101.15 76.83 1.76 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' HA3' ' HA3' ' A' ' 33' ' ' GLY . . . 130.56 -105.23 0.64 Allowed Glycine 0 N--CA 1.442 -0.917 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.304 -172.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.566 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 32.2 p80 -152.5 163.59 23.05 Favored Pre-proline 0 C--N 1.305 -1.353 0 CA-C-N 114.963 -0.619 . . . . 0.0 109.771 177.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.481 ' O ' HG23 ' A' ' 43' ' ' VAL . 35.3 Cg_exo -60.47 156.25 42.66 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.536 2.157 . . . . 0.0 111.763 175.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 2.3 ttp180 -57.07 115.19 2.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.121 0.486 . . . . 0.0 111.888 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 41' ' ' PRO . 11.3 t -120.72 155.29 24.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.458 176.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -110.02 103.24 11.95 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.2 mt -92.2 172.09 8.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.76 -174.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 m -135.88 109.38 7.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.689 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.2 mt -72.4 127.45 90.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.698 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.36 132.16 47.13 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.547 2.165 . . . . 0.0 111.768 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -79.52 -18.32 52.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.381 -175.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -93.08 6.69 47.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.346 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.0 p -118.84 -56.47 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.742 0.306 . . . . 0.0 111.149 176.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.99 0.34 54.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.864 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -166.68 163.54 16.72 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.8 p -166.43 145.52 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.74 0.305 . . . . 0.0 110.704 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 2.4 mp0 -77.98 158.62 29.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 173.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.0 t -73.71 138.07 44.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.18 -12.29 79.55 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.091 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -110.64 -24.83 10.29 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.566 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 93.8 m -138.96 162.83 33.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.332 0.587 . . . . 0.0 112.152 -176.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.06 -31.89 73.13 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 114.708 -1.133 . . . . 0.0 113.612 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.489 ' NH1' ' HB2' ' A' ' 20' ' ' GLU . 89.7 mtt-85 -65.58 150.06 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.416 0.627 . . . . 0.0 112.191 -172.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 62' ' ' ARG . 42.8 ttm105 -120.12 145.84 46.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.895 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -111.74 147.76 34.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.249 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 67.3 mt -125.92 137.51 57.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.018 -173.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -83.87 146.78 27.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.442 177.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 67' ' ' SER . 7.6 pt-20 -45.05 -39.81 6.1 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 50.8 m -75.83 -4.08 38.7 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -172.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -93.28 -28.92 15.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.912 0.387 . . . . 0.0 110.21 175.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.86 87.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.688 -174.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.95 -30.79 14.56 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.55 178.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.79 -94.57 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.486 -178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -149.47 154.34 38.66 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.22 161.71 18.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.264 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -87.7 94.95 9.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.701 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.9 m80 66.9 159.68 0.14 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.913 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 58.1 m170 -87.0 116.81 25.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.819 175.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -126.07 177.39 6.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.75 -177.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -98.11 155.13 17.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.675 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -117.99 -7.89 10.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.009 0.433 . . . . 0.0 110.977 177.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.9 t60 . . . . . 0 C--O 1.248 1.012 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.036 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.523 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 48.9 t . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -86.97 123.94 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.931 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.2 m -119.58 153.73 22.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.285 0.564 . . . . 0.0 111.578 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -102.57 -3.82 26.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.289 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.8 m -119.39 130.99 55.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.428 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -66.84 -29.28 69.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.731 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -97.13 113.87 25.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -113.24 150.86 15.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.994 0.426 . . . . 0.0 110.525 -176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.7 104.68 14.44 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.606 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 13.0 t -92.62 155.79 17.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.859 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -171.45 84.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -173.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.674 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.423 173.725 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.65 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 34.8 p80 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.62 171.13 11.23 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.504 2.136 . . . . 0.0 112.302 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 39.2 ttm180 -63.09 121.51 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.619 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -129.02 154.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -106.75 119.58 39.71 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.181 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.0 mt -110.71 159.24 17.79 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.226 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.6 t -124.08 120.99 33.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.843 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.734 HG12 HG12 ' A' ' 54' ' ' VAL . 59.4 mt -80.91 121.69 81.15 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.397 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.475 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 31.6 Cg_exo -60.84 124.46 15.0 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.669 2.246 . . . . 0.0 111.246 176.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -72.15 -28.16 63.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 -170.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.9 pm0 -92.85 5.73 50.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.234 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.475 ' HB ' ' HB2' ' A' ' 48' ' ' PRO . 17.0 m -115.36 -39.11 3.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.38 -37.21 3.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.354 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.517 ' HB3' HG13 ' A' ' 64' ' ' ILE . 37.5 p90 -148.0 166.31 28.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.754 0.311 . . . . 0.0 110.927 -178.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.734 HG12 HG12 ' A' ' 47' ' ' ILE . 10.4 p -143.33 143.91 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.109 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -99.31 149.34 23.23 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.516 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 52.9 t -74.58 137.87 42.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.62 -13.56 81.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.342 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -104.91 -61.05 1.52 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.103 0.478 . . . . 0.0 110.818 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.65 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 74.9 m -97.35 155.27 16.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.012 -176.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.34 8.05 12.36 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -80.32 129.88 34.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.053 0.454 . . . . 0.0 110.25 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -103.6 143.66 32.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.926 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.523 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 94.0 m-85 -117.63 135.88 53.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.284 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.633 HD11 ' HD2' ' A' ' 68' ' ' PHE . 15.1 tt -137.37 144.36 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.648 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -73.09 144.3 47.06 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -53.77 -33.46 55.94 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -176.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.3 t -67.78 -33.44 74.82 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 -177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.633 ' HD2' HD11 ' A' ' 64' ' ' ILE . 7.6 t80 -88.22 -14.96 37.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.224 0.535 . . . . 0.0 110.031 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.261 -177.347 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.849 0.356 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.4 t -95.26 121.56 45.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 174.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.05 147.55 26.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.281 0.562 . . . . 0.0 111.863 -174.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.8 m -103.04 -17.61 15.35 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.029 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.1 p -93.58 154.45 17.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.51 -176.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -79.65 -55.39 5.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.586 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -94.87 121.66 36.69 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -116.62 152.15 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.07 106.32 18.54 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.723 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 41.6 t -89.85 141.88 28.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -135.8 26.56 3.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.618 0.723 . . . . 0.0 110.551 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 C-N-CA 120.766 -0.73 . . . . 0.0 113.449 174.228 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.545 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 33.8 p80 . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 63.4 Cg_endo -73.01 177.24 8.01 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.407 2.071 . . . . 0.0 112.614 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 41.0 ttm180 -61.15 115.24 3.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.593 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.613 HG22 ' H ' ' A' ' 44' ' ' TRP . 9.9 p -122.6 169.81 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.049 176.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.613 ' H ' HG22 ' A' ' 43' ' ' VAL . 99.0 m95 -107.62 110.63 22.56 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.095 -176.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -105.15 165.73 10.89 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 t -147.85 129.51 15.08 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.571 HD13 HG12 ' A' ' 54' ' ' VAL . 46.2 mm -69.1 114.46 23.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.537 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.557 ' HD3' ' HB ' ' A' ' 54' ' ' VAL . 35.7 Cg_exo -60.82 125.99 18.58 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.728 2.285 . . . . 0.0 111.531 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -75.76 -5.81 47.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.258 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -107.19 5.39 27.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.574 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.444 ' HB ' ' HB2' ' A' ' 48' ' ' PRO . 11.5 m -135.46 -53.25 0.77 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -174.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.95 -19.4 35.4 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.144 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.422 ' HB2' HD13 ' A' ' 64' ' ' ILE . 48.0 p90 -149.76 163.13 38.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.571 HG12 HD13 ' A' ' 47' ' ' ILE . 11.3 p -155.21 148.62 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.203 0.525 . . . . 0.0 111.361 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -120.17 154.48 34.73 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.31 156.99 18.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.046 0.451 . . . . 0.0 111.104 -174.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.72 -19.54 47.67 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.574 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -84.98 -22.1 29.26 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.415 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 13.4 p -154.52 145.4 22.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.602 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.21 34.22 0.2 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.677 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -86.68 137.8 32.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -110.3 132.05 54.51 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.483 -176.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -114.25 120.25 39.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.899 0.38 . . . . 0.0 110.276 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.422 HD13 ' HB2' ' A' ' 53' ' ' PHE . 35.2 mm -113.12 132.05 63.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.717 -177.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -69.68 143.33 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -52.53 -30.93 33.05 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -71.02 -18.45 62.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.699 0.285 . . . . 0.0 111.167 -176.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -103.33 -12.9 16.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.347 0.594 . . . . 0.0 110.508 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.208 -176.175 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 120.962 0.41 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 58.3 t -90.37 123.43 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.089 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.32 151.28 13.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.388 0.613 . . . . 0.0 111.355 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -102.37 0.12 33.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.466 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -114.81 157.93 22.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.946 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -90.29 -27.56 19.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.95 0.405 . . . . 0.0 110.282 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -98.17 140.3 32.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.074 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.559 HG23 ' HB2' ' A' ' 45' ' ' LEU . 4.9 m -131.5 119.2 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-O 121.511 0.672 . . . . 0.0 110.651 174.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.01 93.62 9.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.029 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 49.2 t -85.7 127.79 34.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.547 0.689 . . . . 0.0 110.587 -172.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -114.44 6.88 16.11 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.629 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.793 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.213 -179.097 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.574 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 6.9 p80 . . . . . 0 CA--C 1.529 0.166 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.574 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 7.5 Cg_endo -50.18 140.58 32.9 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.378 2.052 . . . . 0.0 111.379 173.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 33.1 ttm180 -66.26 120.77 13.84 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.479 -174.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.9 t -119.52 156.2 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.781 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -109.39 107.6 17.84 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.236 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.559 ' HB2' HG23 ' A' ' 29' ' ' VAL . 68.9 mt -105.99 160.76 15.04 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.7 t -136.95 130.07 31.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.902 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.7 mt -73.73 129.35 85.37 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.236 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -51.67 121.44 8.59 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.835 2.356 . . . . 0.0 111.925 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -77.16 70.59 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.418 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.477 ' HG3' HG23 ' A' ' 51' ' ' THR . 9.5 pt-20 -173.27 -33.76 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.496 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.477 HG23 ' HG3' ' A' ' 50' ' ' GLU . 25.9 p -107.77 -75.51 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.498 -176.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.646 ' HA3' ' HB2' ' A' ' 68' ' ' PHE . . . 129.74 8.58 3.42 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.573 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -136.24 153.44 51.21 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -133.59 -45.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.02 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.56 ' HG2' ' HG3' ' A' ' 62' ' ' ARG . 48.4 mt-10 65.68 -167.17 0.22 Allowed 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.291 0.37 . . . . 0.0 110.032 -174.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.1 t -142.12 138.71 31.84 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.159 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.51 41.25 2.27 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 174.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -155.49 -48.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.8 t -106.58 162.15 13.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.267 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.19 12.64 28.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.896 0.379 . . . . 0.0 111.485 -176.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -89.92 128.44 36.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.498 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.56 ' HG3' ' HG2' ' A' ' 55' ' ' GLU . 44.1 ttm180 -91.74 147.17 23.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.966 176.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -128.27 135.26 49.41 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.514 0.197 . . . . 0.0 110.489 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 79.7 mt -128.33 135.27 63.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.437 -177.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -79.48 148.8 31.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -54.48 -31.07 55.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.8 t -74.19 -31.07 62.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.548 0.213 . . . . 0.0 110.813 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.646 ' HB2' ' HA3' ' A' ' 52' ' ' GLY . 74.5 t80 -79.55 -20.47 46.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.522 0.677 . . . . 0.0 109.474 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.739 179.082 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.428 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 61.6 t . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.958 0.409 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 45.7 t -82.39 116.21 26.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.457 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -109.98 153.07 11.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.886 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.4 t -112.64 7.0 18.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.832 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 28' ' ' LYS . 7.3 m -128.79 132.69 47.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.243 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.462 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 87.3 m95 -79.9 -21.49 43.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.26 0.552 . . . . 0.0 111.188 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' H ' HG22 ' A' ' 26' ' ' THR . 27.3 mmmt -102.03 103.98 14.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.966 177.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.8 m -109.47 151.47 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.82 0.343 . . . . 0.0 111.288 -175.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.71 112.19 18.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.663 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 39.1 t -100.75 149.02 24.24 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -141.79 26.12 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.694 0.759 . . . . 0.0 110.05 -176.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.567 0 CA-C-N 115.454 -0.793 . . . . 0.0 112.726 177.789 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.0 p80 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.45 160.48 39.23 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.823 2.348 . . . . 0.0 112.082 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.599 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 8.4 tmm_? -52.76 132.56 36.62 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.058 0.456 . . . . 0.0 111.67 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.569 HG21 ' HE2' ' A' ' 58' ' ' TYR . 14.7 p -136.5 160.77 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.868 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.466 ' N ' HG22 ' A' ' 43' ' ' VAL . 97.4 m95 -112.22 129.95 56.09 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.758 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -123.56 163.22 21.41 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.1 t -129.45 109.87 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.661 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.495 HG12 HG11 ' A' ' 54' ' ' VAL . 58.8 mt -71.67 125.79 91.65 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.687 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 16.6 Cg_exo -67.61 126.15 14.35 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.593 2.196 . . . . 0.0 111.747 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.462 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 22.8 m-70 -68.23 -26.46 65.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.801 -176.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -75.83 -14.34 60.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.887 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.3 p -113.85 -37.57 4.48 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.327 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.544 ' HA3' ' CD1' ' A' ' 68' ' ' PHE . . . 83.88 -26.73 4.66 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.182 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -119.41 156.71 29.64 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.495 HG11 HG12 ' A' ' 47' ' ' ILE . 14.8 p -142.68 140.02 28.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.93 0.395 . . . . 0.0 111.056 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -94.52 132.91 38.69 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.551 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 52.0 t -68.49 135.43 51.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.989 0.423 . . . . 0.0 110.363 -178.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.4 -27.0 74.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.86 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.569 ' HE2' HG21 ' A' ' 43' ' ' VAL . 75.2 m-85 -87.2 -55.38 3.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.217 0.532 . . . . 0.0 111.18 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.551 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 12.3 p -119.19 154.81 32.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.022 -171.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -77.03 40.86 0.27 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.056 0.931 . . . . 0.0 110.605 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.413 ' H ' ' C ' ' A' ' 59' ' ' CYS . 16.8 ttt180 -100.11 142.57 31.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.756 174.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -122.84 139.36 54.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.096 0.474 . . . . 0.0 110.909 -175.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.428 ' CD2' ' HB ' ' A' ' 22' ' ' VAL . 91.6 m-85 -120.07 142.17 49.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.635 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 18.3 tt -133.8 138.0 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.273 -178.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -72.29 147.77 46.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.406 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -49.7 -37.36 28.68 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.621 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.1 t -63.74 -42.09 97.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.544 ' CD1' ' HA3' ' A' ' 52' ' ' GLY . 43.7 m-85 -84.15 -9.12 58.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.929 0.395 . . . . 0.0 110.977 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.879 175.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.504 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 46.1 t . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.939 0.399 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.479 HG22 ' HB ' ' A' ' 64' ' ' ILE . 72.0 t -99.91 125.13 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.05 172.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.8 163.27 22.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.345 0.593 . . . . 0.0 111.971 -172.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 t -99.84 -0.57 39.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 174.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 m -98.45 133.93 42.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.062 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -78.17 -36.04 48.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.755 0.312 . . . . 0.0 111.406 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -87.01 115.24 24.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.181 0.515 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.6 135.37 59.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.05 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.55 106.03 18.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.3 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.4 t -86.67 148.65 25.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.934 -178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -163.88 72.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.621 0.725 . . . . 0.0 109.527 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.451 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.087 178.644 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.447 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 31.7 p80 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 13.5 Cg_endo -57.88 159.24 18.31 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.655 2.237 . . . . 0.0 111.931 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 5.1 tmm_? -65.43 128.91 37.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.317 0.579 . . . . 0.0 111.079 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -126.82 156.76 38.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.727 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -104.65 112.1 25.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.129 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.7 mt -108.17 153.77 22.69 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.037 0.446 . . . . 0.0 110.884 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 t -120.62 106.98 12.27 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.12 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.557 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 70.7 mt -54.04 123.17 39.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.982 -178.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.444 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 99.8 Cg_exo -44.58 118.65 1.89 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.327 2.685 . . . . 0.0 112.34 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -81.12 -6.97 59.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.029 -167.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -101.85 -25.49 13.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.983 0.421 . . . . 0.0 110.928 -178.608 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 4.0 p -99.38 -52.53 3.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.589 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.92 7.73 26.85 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.31 -0.947 . . . . 0.0 113.028 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -149.44 145.35 26.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.557 ' HB ' ' HA ' ' A' ' 47' ' ' ILE . 7.2 p -113.24 130.15 67.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.447 0.641 . . . . 0.0 111.835 -177.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -104.55 109.66 21.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.256 -0.883 . . . . 0.0 108.729 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.79 136.68 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.005 0.431 . . . . 0.0 111.338 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.71 35.02 3.98 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.903 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -150.34 -61.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 23.3 t -102.63 177.69 4.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.813 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.93 57.64 0.64 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.809 0.814 . . . . 0.0 109.859 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HA ' ' HE ' ' A' ' 61' ' ' ARG . 1.4 mmp_? -112.58 124.83 53.41 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.326 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -102.73 116.6 32.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.163 0.506 . . . . 0.0 111.073 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.522 ' HB2' HG12 ' A' ' 54' ' ' VAL . 38.7 m-85 -103.01 131.18 50.18 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.479 ' HB ' HG22 ' A' ' 23' ' ' VAL . 59.3 mt -113.83 139.44 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.837 0.351 . . . . 0.0 110.682 -174.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -85.65 144.43 27.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -54.98 -28.76 54.27 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 t -72.33 -30.69 64.98 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.069 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -79.92 -27.26 39.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.052 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.183 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.257 -175.76 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 121.239 0.542 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.403 HG13 ' HA ' ' A' ' 66' ' ' GLU . 46.9 t -84.15 124.21 39.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.067 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.424 HG21 ' CD1' ' A' ' 47' ' ' ILE . 27.2 m -119.9 150.59 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.0 t -105.67 -6.83 18.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.668 0.747 . . . . 0.0 109.434 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -116.65 135.41 53.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.623 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.406 ' HE3' ' HB ' ' A' ' 47' ' ' ILE . 97.5 m95 -75.6 -37.59 59.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.985 0.421 . . . . 0.0 110.581 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -97.25 106.3 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.411 HG23 ' HB2' ' A' ' 45' ' ' LEU . 11.6 m -112.8 130.44 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.404 -175.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.76 107.98 19.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.799 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.4 t -97.98 138.41 35.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.911 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -124.27 14.8 9.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.839 0.828 . . . . 0.0 109.981 -176.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.716 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.584 177.368 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.8 p80 . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.96 149.29 80.19 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.179 1.919 . . . . 0.0 111.901 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -52.51 128.89 27.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.506 -176.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.492 HG22 ' N ' ' A' ' 44' ' ' TRP . 10.1 p -134.19 163.93 35.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-O 121.336 0.588 . . . . 0.0 111.06 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.492 ' N ' HG22 ' A' ' 43' ' ' VAL . 92.5 m95 -118.13 115.97 25.89 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.736 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' HB2' HG23 ' A' ' 29' ' ' VAL . 68.5 mt -107.73 160.7 15.52 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 t -135.84 112.78 10.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.489 HG12 HG11 ' A' ' 54' ' ' VAL . 62.7 mt -72.7 128.84 87.73 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.992 -176.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.645 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 75.0 Cg_exo -50.28 123.97 12.11 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.982 2.455 . . . . 0.0 111.53 175.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -80.07 -13.99 58.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.16 -168.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -103.74 -5.72 22.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.779 0.323 . . . . 0.0 110.848 -178.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.645 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 67.1 p -100.31 -55.68 2.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.847 0.356 . . . . 0.0 110.238 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.56 5.56 53.89 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.092 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -153.47 156.29 37.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.703 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.489 HG11 HG12 ' A' ' 47' ' ' ILE . 10.1 p -149.39 146.74 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.364 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -107.05 132.75 52.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 44.1 t -84.77 99.83 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.67 -17.6 75.04 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.205 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -89.89 -26.32 20.52 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.713 0.292 . . . . 0.0 111.478 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -106.87 -85.24 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.2 t70 171.48 -40.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.881 0.738 . . . . 0.0 110.079 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -54.14 138.58 37.73 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.438 -174.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 49.2 ttm-85 -105.58 129.22 53.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.996 173.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -109.69 140.13 43.91 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -176.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.0 tt -131.41 144.91 36.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.402 ' HB3' ' HD1' ' A' ' 68' ' ' PHE . 50.4 t-80 -72.15 146.92 47.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.7 0.286 . . . . 0.0 110.759 -178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HA ' HG13 ' A' ' 23' ' ' VAL . 15.2 pt-20 -48.17 -46.01 34.23 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.014 -177.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.7 t -70.37 -36.18 73.98 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.702 0.286 . . . . 0.0 111.222 -173.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.402 ' HD1' ' HB3' ' A' ' 65' ' ' HIS . 87.6 m-85 -78.64 -17.95 55.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.911 0.386 . . . . 0.0 111.174 -177.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.017 -176.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 t . . . . . 0 C--O 1.236 0.352 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.81 127.48 43.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.905 0.383 . . . . 0.0 110.554 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.458 ' HB ' HG22 ' A' ' 26' ' ' THR . 29.0 m -134.5 152.47 33.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -113.27 18.5 17.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.458 HG22 ' HB ' ' A' ' 24' ' ' VAL . 5.2 t -117.55 155.12 30.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.044 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -96.25 -9.19 30.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.342 . . . . 0.0 111.6 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -126.0 121.91 34.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.799 0.333 . . . . 0.0 110.173 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.8 m -119.24 133.25 66.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.197 0.522 . . . . 0.0 111.52 -176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.55 110.8 21.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.503 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -89.86 141.2 28.87 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 -177.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -127.55 19.73 6.74 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.854 -169.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.339 179.545 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.667 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 33.7 p80 . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.397 0.141 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.3 156.67 44.54 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.506 2.137 . . . . 0.0 110.954 172.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.98 121.94 15.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.807 0.337 . . . . 0.0 111.607 -172.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -123.22 157.44 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -110.01 120.28 41.96 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.798 0.332 . . . . 0.0 110.386 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -109.34 162.79 13.99 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.413 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.2 m -126.08 131.87 52.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.722 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 55.0 mt -90.94 129.29 44.64 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.282 -174.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.561 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 38.5 Cg_exo -57.6 129.44 33.76 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.929 2.419 . . . . 0.0 111.645 174.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -78.95 -21.5 47.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.634 -170.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.79 -24.29 22.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.026 -176.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.561 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 18.4 p -97.54 -45.0 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.62 17.94 46.88 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.741 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' HB3' HG13 ' A' ' 64' ' ' ILE . 27.7 p90 -154.42 151.81 29.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 63' ' ' TYR . 14.1 p -125.52 141.68 44.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.875 0.369 . . . . 0.0 110.772 -176.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -97.05 147.37 24.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.924 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.0 t -116.2 119.82 36.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.738 0.304 . . . . 0.0 110.522 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.84 -3.1 71.12 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.576 175.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.4 -47.86 10.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.459 -0.37 . . . . 0.0 110.676 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 69.7 m -143.81 179.42 7.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.951 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -78.12 11.6 2.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -173.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -78.52 154.51 30.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.017 0.437 . . . . 0.0 111.156 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -149.03 127.85 12.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.506 ' HB2' HG12 ' A' ' 54' ' ' VAL . 52.2 m-85 -107.62 138.11 44.43 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -174.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.411 HG13 ' HB3' ' A' ' 53' ' ' PHE . 15.9 tt -134.18 148.37 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.87 0.367 . . . . 0.0 111.06 -177.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -72.9 146.44 46.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.949 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 67' ' ' SER . 4.1 pt-20 -45.43 -43.82 11.66 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.777 0.831 . . . . 0.0 113.183 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 23.1 t -69.73 -28.69 66.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.981 0.42 . . . . 0.0 111.603 -172.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -89.19 -14.61 35.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.983 0.42 . . . . 0.0 110.509 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.15 -178.111 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.908 0.385 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 57.2 t -102.84 124.93 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.721 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 m -118.29 147.95 21.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.237 0.542 . . . . 0.0 112.022 -174.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.0 m -100.86 -21.83 15.0 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.082 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -89.8 157.41 17.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.038 -175.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -86.56 -12.82 47.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 0.0 110.94 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -121.04 143.03 49.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.599 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 63' ' ' TYR . 3.0 t -133.89 159.22 42.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.13 114.03 20.32 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 42.0 t -98.71 130.04 45.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.47 ' OD1' ' HB2' ' A' ' 42' ' ' ARG . 7.9 t70 -117.21 20.27 13.78 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.528 0.68 . . . . 0.0 110.24 -174.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.404 ' HA2' ' CD2' ' A' ' 40' ' ' HIS . . . . . . . . 0 N--CA 1.446 -0.674 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.562 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.404 ' CD2' ' HA2' ' A' ' 33' ' ' GLY . 34.8 p80 . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.05 153.25 65.58 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.036 2.49 . . . . 0.0 111.723 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.497 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 26.9 ttm180 -63.43 122.37 16.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.134 0.492 . . . . 0.0 111.597 -175.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 44' ' ' TRP . 13.1 p -116.53 163.08 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.41 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.462 ' N ' HG22 ' A' ' 43' ' ' VAL . 94.1 m95 -106.81 111.15 23.54 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.93 -177.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -106.88 171.34 7.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.168 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.6 t -143.41 148.44 36.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.394 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.6 mm -87.5 116.14 65.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.403 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.21 126.73 18.46 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.503 2.136 . . . . 0.0 111.511 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -76.93 -16.78 59.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.499 0.666 . . . . 0.0 109.934 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -80.21 -13.53 59.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.397 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 p -125.81 -53.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.648 0.261 . . . . 0.0 111.512 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.73 9.19 35.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.609 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -158.02 156.78 31.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 63' ' ' TYR . 7.9 p -138.92 146.72 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.016 0.436 . . . . 0.0 110.997 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -118.3 126.06 51.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.429 ' HB3' ' H ' ' A' ' 61' ' ' ARG . 36.3 t -64.31 121.66 14.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.922 0.391 . . . . 0.0 111.711 -174.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.84 -5.54 68.33 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.887 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -80.99 -41.72 22.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 p -133.42 -97.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.495 171.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 179.39 91.92 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.455 0.645 . . . . 0.0 110.388 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.429 ' H ' ' HB3' ' A' ' 56' ' ' CYS . 38.2 ttm180 -137.2 152.79 50.28 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 169.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttm105 -115.72 117.76 31.16 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.53 -172.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.489 ' HB2' HG12 ' A' ' 54' ' ' VAL . 87.1 m-85 -107.31 125.55 51.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.484 -178.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 34.3 mm -116.03 139.99 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.696 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -78.75 142.72 36.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.915 0.388 . . . . 0.0 110.482 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.92 -31.93 60.71 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 t -66.63 -18.25 65.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.744 0.307 . . . . 0.0 111.183 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.89 -13.8 22.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.09 0.471 . . . . 0.0 110.775 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.248 -178.726 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.9 t . . . . . 0 CA--C 1.52 -0.176 0 N-CA-C 110.612 -0.144 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 43.1 t -95.96 119.97 44.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 m -125.07 151.71 30.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 111.634 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 m -90.25 -13.71 34.85 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.123 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.9 p -101.31 143.63 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.234 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -78.68 -31.37 46.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.014 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -100.8 124.23 46.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.862 0.363 . . . . 0.0 110.595 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -123.6 148.05 27.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.603 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.41 109.74 20.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.848 177.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.0 t -92.81 149.93 20.95 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -161.03 75.05 0.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.656 175.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.0 p80 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.62 168.59 19.52 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.795 2.33 . . . . 0.0 112.364 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -55.06 121.18 8.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.689 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 p -120.48 153.45 23.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.431 0.634 . . . . 0.0 109.918 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -111.48 115.2 28.82 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.623 -175.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.9 mt -112.04 159.34 18.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.406 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.1 t -135.73 115.05 12.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.466 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.561 HG12 HG12 ' A' ' 54' ' ' VAL . 66.2 mt -65.86 124.01 86.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.148 -177.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 29.7 Cg_exo -62.51 127.63 21.34 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.813 2.342 . . . . 0.0 111.491 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -70.78 -24.6 62.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.366 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.44 -19.99 51.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.377 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.9 p -102.31 -48.47 4.18 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.915 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.45 2.37 60.28 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -176.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.502 ' HB2' HD13 ' A' ' 64' ' ' ILE . 50.1 p90 -155.34 156.1 34.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.561 HG12 HG12 ' A' ' 47' ' ' ILE . 12.5 p -137.57 140.22 41.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.007 0.432 . . . . 0.0 110.414 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.45 129.79 54.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.605 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 38.2 t -71.28 151.22 44.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -176.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.5 -19.79 31.41 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.893 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -80.05 -30.38 39.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 47.6 t -157.17 169.59 24.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.416 -0.586 . . . . 0.0 109.416 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.6 33.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.157 0.503 . . . . 0.0 111.653 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' H ' ' C ' ' A' ' 59' ' ' CYS . 10.3 mmt85 -73.04 123.46 23.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.476 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -115.14 113.03 23.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.766 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -100.6 120.84 40.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.023 0.44 . . . . 0.0 110.603 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.502 HD13 ' HB2' ' A' ' 53' ' ' PHE . 25.6 mm -109.23 125.62 66.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.453 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -76.4 136.56 39.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -59.98 -17.35 37.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -173.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.4 p -70.18 -38.33 75.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.258 0.551 . . . . 0.0 110.084 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -79.79 -20.94 45.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.77 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.132 -176.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 47.4 t . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.0 t -88.22 125.41 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.392 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.1 m -111.89 143.07 22.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.281 0.562 . . . . 0.0 111.314 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 m -96.97 17.46 16.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.257 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.4 m -147.2 142.01 26.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.416 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -64.07 -34.65 78.5 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.73 0.3 . . . . 0.0 111.196 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -102.14 134.55 45.21 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.34 153.98 33.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.601 -175.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 43' ' ' VAL . . . -109.65 100.53 9.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.46 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.9 t -88.83 151.75 22.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.676 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -159.06 72.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.41 0.624 . . . . 0.0 109.805 -174.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.551 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.436 175.772 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 27.0 p80 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 40' ' ' HIS . 21.6 Cg_exo -66.94 161.24 43.34 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.904 2.403 . . . . 0.0 112.485 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 42' ' ' ARG . 41.2 ttp180 -51.0 120.22 4.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.086 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 44' ' ' TRP . 11.3 p -122.86 163.7 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.297 0.57 . . . . 0.0 110.244 176.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.468 ' N ' HG22 ' A' ' 43' ' ' VAL . 96.0 m95 -113.68 115.62 28.14 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.444 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.9 mt -112.68 164.09 13.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -140.13 128.15 22.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.321 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 68.4 mt -85.23 126.47 67.25 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.115 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 16.3 Cg_exo -68.86 143.91 57.02 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.884 2.389 . . . . 0.0 112.182 176.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -70.36 -35.72 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.642 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.4 pm0 -71.42 -22.24 61.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.637 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.0 p -96.67 -57.53 2.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 111.133 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.55 -8.59 66.43 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.49 ' HB3' HG12 ' A' ' 64' ' ' ILE . 47.5 p90 -142.56 164.91 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.53 137.87 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.155 0.503 . . . . 0.0 111.337 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.85 120.39 34.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.057 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.3 t -67.35 102.71 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.849 0.356 . . . . 0.0 110.5 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.99 44.69 3.05 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -152.89 -49.26 0.1 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 36.6 t -94.93 -89.19 0.24 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.109 177.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 59' ' ' CYS . 38.7 t70 172.49 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -51.9 144.63 11.23 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.451 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -104.62 142.16 35.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.469 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 91.4 m-85 -125.18 144.16 50.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.736 0.303 . . . . 0.0 110.646 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.49 HG12 ' HB3' ' A' ' 53' ' ' PHE . 70.5 mt -129.56 136.89 58.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.351 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -71.02 145.69 49.81 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 110.248 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -52.4 -33.34 43.1 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -176.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.1 t -64.8 -36.31 83.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.152 0.501 . . . . 0.0 110.544 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -81.96 -14.83 55.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.177 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.578 -179.071 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 47.7 t -79.61 127.11 39.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.111 -174.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.403 HG21 HD11 ' A' ' 47' ' ' ILE . 20.4 m -117.11 148.22 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.739 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 t -101.06 -11.87 19.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.391 0.615 . . . . 0.0 109.63 178.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.21 153.32 23.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.914 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.487 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 94.5 m95 -91.53 -26.96 18.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.338 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -95.62 102.31 14.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 30' ' ' ALA . 4.8 t -108.13 163.07 5.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.956 -172.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.406 ' N ' HG12 ' A' ' 29' ' ' VAL . . . -112.01 129.27 56.25 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.27 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 21.9 t -96.48 147.25 24.04 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -160.54 71.52 0.44 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.518 0.675 . . . . 0.0 110.409 -172.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.476 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.936 174.758 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.0 p80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.67 154.25 50.21 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.565 2.177 . . . . 0.0 112.154 177.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 5.2 tmm_? -57.87 131.7 51.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.249 -176.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -130.24 160.91 40.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.03 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -97.63 133.84 41.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.858 0.361 . . . . 0.0 111.414 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -120.92 171.63 8.5 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.143 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.6 t -139.09 126.34 21.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.962 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.72 HG12 ' HB ' ' A' ' 54' ' ' VAL . 56.4 mt -84.74 125.1 71.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.738 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 24.6 Cg_exo -63.81 132.72 36.03 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 122.883 2.388 . . . . 0.0 110.935 173.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.487 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 24.5 m-70 -81.42 -13.72 57.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -165.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -91.81 -27.87 17.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 110.757 -177.708 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 53' ' ' PHE . 2.3 p -91.68 -44.45 9.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.467 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.11 3.06 63.85 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.168 176.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CE2' ' HB ' ' A' ' 51' ' ' THR . 52.7 p90 -138.2 154.43 49.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.72 ' HB ' HG12 ' A' ' 47' ' ' ILE . 7.3 p -116.37 124.32 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.0 110.821 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -92.41 114.06 26.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.03 176.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.4 t -69.01 145.23 53.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.572 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.05 19.2 23.16 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 176.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -129.19 -22.37 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.716 -0.242 . . . . 0.0 111.123 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.6 t -162.1 175.17 12.02 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.426 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -87.17 45.04 1.23 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.928 0.87 . . . . 0.0 109.924 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.674 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 3.9 mmp_? -106.1 115.53 30.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.726 176.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -114.83 130.46 56.88 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.094 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -115.62 140.5 49.12 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 42.6 mm -116.36 127.73 73.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.036 -176.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -68.55 145.49 53.94 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -53.02 -32.65 47.81 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.9 t -70.99 -32.74 69.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 -178.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.441 ' HD2' HG23 ' A' ' 64' ' ' ILE . 55.5 t80 -88.93 -17.15 30.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.404 0.621 . . . . 0.0 109.771 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.635 -178.871 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.41 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 56.6 t . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.929 0.395 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.1 t -92.05 131.92 37.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.984 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.464 HG21 HD11 ' A' ' 47' ' ' ILE . 15.4 m -117.41 146.03 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.439 0.637 . . . . 0.0 111.458 -177.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.8 t -105.49 -0.58 25.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.914 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.7 p -108.85 131.37 55.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.538 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -66.02 -22.99 66.48 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-O 121.061 0.458 . . . . 0.0 110.532 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -108.01 124.41 50.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.516 HG21 HG11 ' A' ' 54' ' ' VAL . 13.7 m -111.02 127.07 68.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.04 0.448 . . . . 0.0 110.94 -175.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.432 ' HB1' ' HD2' ' A' ' 42' ' ' ARG . . . -94.57 99.99 12.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.63 177.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.8 t -86.69 127.0 34.93 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.383 0.611 . . . . 0.0 109.973 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -120.82 5.01 10.5 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.163 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.716 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.485 -178.57 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 59' ' ' CYS . 23.7 p80 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.486 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 72.1 Cg_exo -50.64 134.06 39.53 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.222 1.948 . . . . 0.0 110.926 171.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.434 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 49.4 ttp180 -65.15 129.5 39.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.143 0.497 . . . . 0.0 111.493 -171.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.9 t -119.98 150.35 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.449 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -109.5 108.44 18.92 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.916 0.388 . . . . 0.0 110.708 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HB2' HG23 ' A' ' 29' ' ' VAL . 71.8 mt -106.68 170.25 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.61 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.6 t -132.85 140.9 48.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.953 0.406 . . . . 0.0 110.245 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.464 HD11 HG21 ' A' ' 24' ' ' VAL . 64.3 mt -82.46 128.25 67.66 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.98 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 25.6 Cg_exo -62.58 142.99 92.01 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.521 2.148 . . . . 0.0 110.664 174.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -90.37 -0.59 57.71 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 -164.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -108.19 -28.85 9.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.31 0.576 . . . . 0.0 110.337 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 6.7 p -86.37 -52.44 5.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.093 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.44 11.9 60.36 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.811 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -146.45 154.28 41.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.546 -0.384 . . . . 0.0 110.692 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.516 HG11 HG21 ' A' ' 29' ' ' VAL . 7.2 p -129.7 130.56 66.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.394 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -106.57 92.68 4.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.109 0.481 . . . . 0.0 110.276 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.47 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 15.2 m -67.07 106.8 2.07 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.426 178.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.72 -4.1 90.3 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.787 -0.721 . . . . 0.0 113.138 -175.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.33 -40.81 77.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.052 0.453 . . . . 0.0 110.636 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 11.6 t -124.21 -9.19 7.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.539 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 73.73 69.95 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.138 -174.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.47 ' HB2' ' HB2' ' A' ' 56' ' ' CYS . 40.3 mmt180 -125.59 120.13 29.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.581 -178.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -105.46 105.07 14.94 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.41 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 23.6 m-85 -101.19 134.1 44.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.41 -178.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.466 HG23 ' HD2' ' A' ' 68' ' ' PHE . 50.8 mm -101.33 126.41 55.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.563 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -71.47 146.63 48.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -52.51 -38.04 58.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.165 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.3 t -70.1 -31.76 69.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.873 0.368 . . . . 0.0 110.67 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.466 ' HD2' HG23 ' A' ' 64' ' ' ILE . 34.2 t80 -82.39 -17.8 44.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.009 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.608 178.173 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.45 -0.436 0 CA-C-O 120.861 0.362 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.49 125.08 42.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.921 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.9 m -123.71 156.11 30.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 121.282 0.563 . . . . 0.0 111.293 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 t -115.17 -3.92 12.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.182 176.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -94.84 134.0 37.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.446 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.52 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 99.0 m95 -78.69 -31.25 46.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 19.2 ptpt -99.17 106.65 18.85 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 170.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.64 151.92 4.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.102 0.477 . . . . 0.0 110.613 -173.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.38 103.25 9.95 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.252 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.3 t -83.9 124.84 31.41 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.18 -20.82 12.54 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.259 -169.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.54 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.815 -175.057 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.429 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 16.2 p80 . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 53.1 Cg_exo -53.53 143.55 55.45 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.248 1.966 . . . . 0.0 111.194 172.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -64.44 115.09 4.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.568 0.223 . . . . 0.0 110.723 -174.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.4 t -109.13 156.07 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -109.95 129.59 55.64 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.153 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -112.29 159.9 18.18 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.916 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.5 t -125.2 112.58 16.6 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.815 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 51.9 mt -84.53 124.13 73.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.438 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 23.5 Cg_exo -64.81 136.06 47.46 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.76 2.307 . . . . 0.0 111.353 176.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.52 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 20.4 m-70 -74.37 -16.04 60.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.26 -171.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.48 6.43 42.38 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.687 -178.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 p -122.14 -65.16 1.14 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.631 0.253 . . . . 0.0 110.644 175.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.09 23.03 23.66 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.856 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -152.9 153.71 33.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.778 -0.248 . . . . 0.0 110.416 178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.79 145.18 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.958 0.409 . . . . 0.0 110.479 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.62 138.46 40.93 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.74 122.94 18.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.074 0.464 . . . . 0.0 110.854 -176.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.73 43.01 3.1 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.753 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -162.81 -49.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.1 t -108.29 166.55 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.913 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -80.26 -2.25 44.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.13 0.49 . . . . 0.0 111.282 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -80.79 153.21 27.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.372 0.606 . . . . 0.0 111.929 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -126.4 150.35 48.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.938 -173.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -126.71 132.39 51.15 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.992 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.6 mm -125.21 130.04 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.859 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -69.58 145.53 52.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.38 -30.9 42.27 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.6 t -72.89 -23.09 60.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.709 0.29 . . . . 0.0 111.12 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -93.47 -12.38 29.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.097 0.475 . . . . 0.0 110.317 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.979 -176.383 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.419 ' HB ' ' HD1' ' A' ' 63' ' ' TYR . 47.0 t . . . . . 0 N--CA 1.447 -0.575 0 CA-C-O 120.81 0.338 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -85.34 124.93 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.03 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.2 m -123.9 157.74 30.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.896 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -108.87 -8.83 15.21 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.279 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 m -106.87 141.65 37.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.205 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -82.76 -47.02 12.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.999 0.428 . . . . 0.0 109.987 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -90.56 100.04 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.8 m -108.01 146.11 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.758 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.08 102.55 15.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.398 174.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.8 t -71.06 156.34 39.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.544 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -174.16 89.84 0.07 Allowed 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -166.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.566 0 CA-C-N 114.276 -1.329 . . . . 0.0 115.694 -177.926 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.8 p80 . . . . . 0 C--O 1.234 0.27 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.53 158.17 13.56 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.792 2.328 . . . . 0.0 112.209 175.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -72.27 124.72 25.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.292 0.568 . . . . 0.0 111.331 -174.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.8 t -123.73 160.85 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.343 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -106.45 125.28 50.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.712 0.291 . . . . 0.0 110.718 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.5 mt -115.28 167.64 10.67 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.5 m -143.36 113.2 7.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.927 0.394 . . . . 0.0 110.377 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.452 HG12 ' CG1' ' A' ' 54' ' ' VAL . 49.2 mt -77.9 126.83 83.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.627 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -62.3 134.88 50.9 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.686 2.257 . . . . 0.0 111.689 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -75.8 -18.02 59.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.109 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -84.99 -17.85 36.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.312 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 p -99.81 -55.47 2.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.762 0.315 . . . . 0.0 111.108 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.45 -5.26 60.48 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 121.121 -0.562 . . . . 0.0 111.949 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -149.47 162.73 39.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.452 ' CG1' HG12 ' A' ' 47' ' ' ILE . 12.0 p -148.59 143.58 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.836 0.35 . . . . 0.0 110.479 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.74 132.88 42.97 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 48.5 t -76.95 135.05 38.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.836 0.35 . . . . 0.0 110.352 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.44 38.69 3.0 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.776 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -154.81 -56.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.8 t -99.43 166.89 10.96 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -91.78 -7.09 50.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.204 0.526 . . . . 0.0 110.628 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.59 125.61 25.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.95 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -100.65 139.91 35.67 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.419 ' HD1' ' HB ' ' A' ' 22' ' ' VAL . 19.9 m-85 -111.27 131.58 55.03 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.725 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.672 HD11 ' HD2' ' A' ' 68' ' ' PHE . 14.3 tt -134.26 139.94 47.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.941 177.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -75.89 140.72 42.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -58.53 -29.72 66.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -174.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.8 p -69.68 -25.4 63.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 110.818 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.672 ' HD2' HD11 ' A' ' 64' ' ' ILE . 38.1 t80 -75.29 -22.81 57.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.042 0.449 . . . . 0.0 110.468 -176.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 -178.885 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.592 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 45.0 t . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.745 0.307 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.6 t -89.69 127.73 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.361 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.457 HG21 HD11 ' A' ' 47' ' ' ILE . 25.3 m -110.18 145.32 16.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.636 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.8 t -106.95 -8.69 16.52 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.381 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.5 p -119.74 153.55 35.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.172 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -79.25 -10.38 59.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.239 0.543 . . . . 0.0 111.279 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -134.78 130.08 35.57 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.42 178.67 5.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.327 0.584 . . . . 0.0 111.672 -169.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.11 118.81 26.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.19 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 42.4 t -83.62 133.34 34.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -116.61 3.29 13.11 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.155 -170.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.452 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.399 178.504 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.0 p80 . . . . . 0 C--O 1.235 0.291 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.67 151.62 84.23 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.473 2.115 . . . . 0.0 111.23 172.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 21.9 ttm180 -59.56 125.01 21.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.005 0.431 . . . . 0.0 111.848 -174.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.3 t -120.46 157.95 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.501 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -100.21 128.55 46.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.387 0.275 . . . . 0.0 110.55 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -122.5 164.09 18.73 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.821 0.343 . . . . 0.0 111.001 -177.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.3 t -129.67 122.79 29.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.478 HG12 ' HB ' ' A' ' 54' ' ' VAL . 65.7 mt -75.35 123.03 88.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.278 -175.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 38.5 Cg_exo -60.22 117.41 4.16 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.899 2.399 . . . . 0.0 111.937 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -75.12 -0.58 19.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.2 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.1 -37.51 78.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.232 0.539 . . . . 0.0 110.555 176.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.9 p -119.06 -42.15 2.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.575 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.39 6.7 44.2 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.246 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -124.59 147.59 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.559 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 6.8 p -113.22 116.84 53.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.552 0.692 . . . . 0.0 110.723 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -96.23 116.21 28.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.084 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 36.1 t -79.93 138.51 37.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.797 0.332 . . . . 0.0 110.825 -177.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -101.59 -6.2 50.48 Favored Glycine 0 N--CA 1.451 -0.32 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.89 -39.01 17.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.9 0.381 . . . . 0.0 110.881 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.7 p -148.55 -178.92 6.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.418 -175.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -84.01 42.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.289 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.493 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 20.6 mmt180 -100.95 130.51 46.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.298 -178.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -128.22 120.52 27.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.842 172.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.592 ' CD2' ' HB ' ' A' ' 22' ' ' VAL . 91.5 m-85 -110.58 134.1 52.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.973 0.416 . . . . 0.0 110.926 -176.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.7 mm -109.77 124.94 66.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.559 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -72.49 138.23 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -53.9 -30.5 46.39 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 123.413 0.446 . . . . 0.0 112.182 -177.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.9 t -69.73 -25.79 64.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.372 . . . . 0.0 110.795 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -104.35 -3.43 24.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.297 0.57 . . . . 0.0 110.102 179.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.62 -179.393 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.665 0.269 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.3 t -103.43 126.04 57.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.322 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 65' ' ' HIS . 15.7 m -136.5 158.2 37.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.048 0.451 . . . . 0.0 111.364 -175.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.9 t -104.24 -20.54 13.75 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 28' ' ' LYS . 8.2 m -72.65 132.88 44.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.151 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' A' ' 46' ' ' SER . 99.9 m95 -82.98 -12.3 57.4 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.774 0.286 . . . . 0.0 111.774 -175.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' H ' HG22 ' A' ' 26' ' ' THR . 90.6 mttt -132.56 124.12 27.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.8 0.333 . . . . 0.0 110.807 176.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.51 157.3 32.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.051 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.23 109.96 22.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.4 t -95.18 125.15 39.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.31 0.576 . . . . 0.0 109.693 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -138.3 20.73 2.77 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.553 -173.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.743 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.931 -175.373 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.4 p80 . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.435 ' O ' HG23 ' A' ' 43' ' ' VAL . 64.7 Cg_exo -52.58 138.1 58.08 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.501 2.134 . . . . 0.0 111.948 175.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.498 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 23.8 ttp180 -57.94 119.71 7.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.359 0.6 . . . . 0.0 112.378 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 41' ' ' PRO . 12.2 t -125.7 157.96 34.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.29 177.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -107.93 109.83 21.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.842 0.353 . . . . 0.0 110.311 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.1 162.3 13.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.536 -176.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 6.7 t -125.6 146.47 49.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.191 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.552 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 56.5 mt -80.73 120.86 80.25 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.538 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.36 124.7 15.7 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.656 2.237 . . . . 0.0 111.43 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -76.66 -6.74 53.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.685 -175.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.457 ' HG3' HG23 ' A' ' 51' ' ' THR . 13.8 pt-20 -83.52 -25.1 31.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.823 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.515 ' HB ' ' CE1' ' A' ' 53' ' ' PHE . 7.9 p -111.21 -50.0 2.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.508 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.87 6.61 42.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.811 -176.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.515 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 42.9 p90 -153.11 155.55 36.98 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.552 ' HB ' ' HA ' ' A' ' 47' ' ' ILE . 5.7 p -125.8 122.11 61.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.357 0.598 . . . . 0.0 111.35 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.31 122.9 38.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.891 172.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 51.9 t -63.85 134.1 54.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.885 0.374 . . . . 0.0 110.416 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.21 -1.69 88.31 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.608 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -104.67 -32.49 8.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.804 0.335 . . . . 0.0 111.09 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 48.5 t -155.65 168.01 28.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -78.98 39.57 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.938 0.875 . . . . 0.0 111.07 -176.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HD3' ' HA ' ' A' ' 61' ' ' ARG . 20.0 mmt180 -78.85 112.29 15.85 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 170.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -119.51 113.21 20.4 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.29 -170.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -103.91 131.81 50.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.814 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.501 HD13 ' HB2' ' A' ' 53' ' ' PHE . 15.8 mm -113.46 137.83 45.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.834 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 50.5 t-80 -74.12 145.42 44.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 67' ' ' SER . 13.8 pt-20 -52.03 -39.34 59.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.232 -177.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 16.4 t -80.26 -16.98 53.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.601 0.239 . . . . 0.0 111.233 -173.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -90.77 -22.7 20.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 109.758 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.253 -179.654 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 C--O 1.235 0.311 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.24 122.92 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.215 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.8 m -121.3 154.08 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.224 0.535 . . . . 0.0 111.551 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 m -97.97 -6.89 31.13 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.323 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 m -109.6 129.02 55.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.344 -176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -71.69 -41.84 68.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.904 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -111.66 112.01 23.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.224 0.535 . . . . 0.0 110.054 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.9 m -122.33 155.88 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.53 -172.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.81 116.79 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.97 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.7 t -96.08 138.39 33.77 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -128.85 11.87 6.17 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.583 0.706 . . . . 0.0 110.254 -172.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.527 -179.042 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.1 p80 . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.453 ' O ' HG23 ' A' ' 43' ' ' VAL . 50.7 Cg_exo -54.74 146.47 55.0 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.174 1.916 . . . . 0.0 111.049 173.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -64.59 115.52 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 41' ' ' PRO . 10.9 t -115.75 156.92 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.045 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -105.79 119.01 38.05 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.877 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -105.0 165.62 10.95 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.663 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.1 t -139.12 113.25 8.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.48 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.5 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 68.5 mt -75.3 121.18 84.67 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.457 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.44 123.97 14.16 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.413 2.075 . . . . 0.0 111.341 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -71.56 -17.63 62.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.422 -176.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -88.57 -3.87 58.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.003 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.9 m -117.48 -46.03 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.13 -26.34 24.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.406 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -136.83 156.47 48.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 63' ' ' TYR . 14.0 p -111.44 134.37 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.041 0.448 . . . . 0.0 110.548 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -101.65 109.07 20.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 42.4 t -76.84 143.46 39.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.136 0.493 . . . . 0.0 111.031 -176.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.37 -16.34 57.34 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.943 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -84.53 -29.95 25.52 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.683 0.278 . . . . 0.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 33.8 t -156.36 160.61 39.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -86.81 32.42 0.67 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.83 0.824 . . . . 0.0 110.628 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -82.27 118.48 23.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.15 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -91.63 112.3 24.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.655 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.506 ' HB2' HG12 ' A' ' 54' ' ' VAL . 93.3 m-85 -103.59 111.57 24.1 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.593 HD11 ' HD2' ' A' ' 68' ' ' PHE . 11.0 tt -113.55 136.5 49.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.806 0.336 . . . . 0.0 110.174 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -76.31 141.73 41.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -60.29 -19.25 54.2 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -175.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.0 t -64.39 -35.67 81.65 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.593 ' HD2' HD11 ' A' ' 64' ' ' ILE . 12.9 t80 -78.79 -19.18 52.8 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.338 0.589 . . . . 0.0 109.696 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.68 179.241 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.4 t -93.25 127.41 45.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.232 -177.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 65' ' ' HIS . 17.2 m -137.11 153.6 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.5 m -102.84 7.93 39.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.511 0.672 . . . . 0.0 109.717 173.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.0 m -105.8 135.05 47.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.571 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -88.72 -56.18 3.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.892 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -81.97 112.3 18.94 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 m -122.08 138.04 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-O 121.116 0.484 . . . . 0.0 111.282 -173.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.25 101.0 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.911 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -84.68 142.89 29.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -138.83 24.21 2.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.736 0.779 . . . . 0.0 109.233 -173.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.768 -176.927 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.5 p80 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.09 171.47 7.55 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.816 2.344 . . . . 0.0 112.204 176.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -66.43 119.31 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.88 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -119.49 152.37 22.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -97.8 112.27 24.24 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.451 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.08 163.29 15.38 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.2 t -140.14 117.71 11.53 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.981 0.42 . . . . 0.0 110.103 178.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.483 HG12 ' CG1' ' A' ' 54' ' ' VAL . 58.5 mt -68.82 122.86 86.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.742 176.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 6.4 Cg_endo -50.44 131.38 32.1 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.721 2.281 . . . . 0.0 111.644 178.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -79.31 6.54 9.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.945 -166.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -124.01 -34.86 2.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.833 -174.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.47 -43.25 12.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.729 0.299 . . . . 0.0 110.911 178.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.543 ' HA3' ' CD2' ' A' ' 68' ' ' PHE . . . 89.3 15.22 59.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.781 172.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -149.27 154.75 39.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.483 ' CG1' HG12 ' A' ' 47' ' ' ILE . 14.5 p -143.85 135.41 22.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.313 0.578 . . . . 0.0 110.726 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -103.89 115.74 31.01 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 46.2 t -58.98 105.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 111.305 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.57 44.62 3.25 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.389 -0.685 . . . . 0.0 111.389 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -149.48 -44.67 0.14 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 50.8 t -102.02 -83.39 0.46 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.391 175.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 59' ' ' CYS . 24.9 t70 169.34 -35.5 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.702 0.626 . . . . 0.0 110.212 -178.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -60.17 144.76 49.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.75 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -103.52 142.14 34.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -121.42 144.28 48.76 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -141.7 147.61 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.937 0.399 . . . . 0.0 111.242 -178.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 44.6 t-80 -77.75 148.53 34.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.109 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -58.27 -32.84 68.78 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -175.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 t -68.84 -31.78 71.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.167 0.508 . . . . 0.0 110.83 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.543 ' CD2' ' HA3' ' A' ' 52' ' ' GLY . 97.0 m-85 -96.5 -7.0 35.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.11 0.481 . . . . 0.0 111.346 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.532 -176.713 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.435 ' CG1' ' HA ' ' A' ' 66' ' ' GLU . 47.3 t -88.89 122.14 39.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.451 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 m -128.1 148.23 32.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.473 0.654 . . . . 0.0 111.637 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 p -91.36 -7.92 49.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.137 176.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 m -98.13 137.87 36.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.33 -177.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -81.29 -39.5 25.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.912 0.387 . . . . 0.0 110.425 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -96.0 114.34 26.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.716 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 45' ' ' LEU . 12.0 m -116.69 130.94 70.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.318 0.58 . . . . 0.0 111.164 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.11 104.59 17.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.58 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 t -82.23 139.41 34.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -178.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -127.95 13.69 6.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.477 -173.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-N 115.678 -0.692 . . . . 0.0 113.21 177.124 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.537 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 25.9 p80 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.537 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 30.4 Cg_endo -63.03 167.16 12.79 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.504 2.136 . . . . 0.0 112.053 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 ttm105 -56.04 118.69 4.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.685 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 t -119.99 157.15 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -108.81 116.93 32.93 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.066 0.46 . . . . 0.0 111.14 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.525 ' HB2' HG23 ' A' ' 29' ' ' VAL . 89.9 mt -114.83 162.52 16.77 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.0 t -140.0 129.74 24.52 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.5 mt -71.99 114.3 27.82 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.528 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.64 135.37 35.7 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.49 2.127 . . . . 0.0 111.535 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -74.38 0.38 14.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.255 0.55 . . . . 0.0 110.047 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HG3' HG23 ' A' ' 51' ' ' THR . 11.7 pt-20 -97.76 -13.99 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.966 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.465 HG23 ' HG3' ' A' ' 50' ' ' GLU . 32.2 p -120.54 -48.74 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 111.758 -177.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.0 -6.03 53.74 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.648 -0.786 . . . . 0.0 111.995 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -158.03 167.01 31.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.2 p -139.92 138.25 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.941 0.401 . . . . 0.0 110.593 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -106.15 134.47 49.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.713 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.7 t -75.02 146.52 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.352 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -95.98 -17.82 33.85 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.149 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -90.87 -57.77 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.355 0.598 . . . . 0.0 110.427 177.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -103.06 167.96 9.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.58 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.53 6.11 39.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.013 0.435 . . . . 0.0 110.8 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -73.28 148.59 43.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.318 -178.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 62' ' ' ARG . 13.8 ttm180 -122.99 147.1 47.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.169 -175.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -125.95 122.65 36.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.6 mt -122.84 142.99 37.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.383 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.85 143.66 55.66 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.018 0.437 . . . . 0.0 111.045 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.435 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 8.7 pt-20 -48.76 -39.74 26.13 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.222 -0.899 . . . . 0.0 113.407 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 71.1 m -70.42 -17.82 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -173.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -81.06 -22.52 39.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.231 0.538 . . . . 0.0 110.297 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.579 -176.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 C--O 1.237 0.425 0 CA-C-O 120.602 0.239 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 46.8 t -87.92 118.45 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.9 m -118.77 156.12 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.028 -172.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -105.97 -3.04 22.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.897 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -107.61 134.79 50.1 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.043 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -80.06 -35.06 37.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 110.957 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 45' ' ' LEU . 30.3 mtpp -96.85 105.77 17.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 176.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.72 138.23 31.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.157 0.503 . . . . 0.0 111.502 -174.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.59 103.29 15.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.623 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 36.3 t -103.54 139.68 38.54 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.093 0.473 . . . . 0.0 110.459 -176.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -135.66 19.77 3.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.172 0.987 . . . . 0.0 108.525 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.664 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.912 -172.759 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.566 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 32.2 p80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.481 ' O ' HG23 ' A' ' 43' ' ' VAL . 35.3 Cg_exo -60.47 156.25 42.66 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.536 2.157 . . . . 0.0 111.763 175.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 2.3 ttp180 -57.07 115.19 2.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.121 0.486 . . . . 0.0 111.888 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 41' ' ' PRO . 11.3 t -120.72 155.29 24.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.458 176.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -110.02 103.24 11.95 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.2 mt -92.2 172.09 8.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.76 -174.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 m -135.88 109.38 7.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.689 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.2 mt -72.4 127.45 90.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.698 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.36 132.16 47.13 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.547 2.165 . . . . 0.0 111.768 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -79.52 -18.32 52.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.381 -175.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -93.08 6.69 47.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.346 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.0 p -118.84 -56.47 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.742 0.306 . . . . 0.0 111.149 176.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.99 0.34 54.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.864 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -166.68 163.54 16.72 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.8 p -166.43 145.52 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.74 0.305 . . . . 0.0 110.704 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 2.4 mp0 -77.98 158.62 29.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 173.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.0 t -73.71 138.07 44.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.18 -12.29 79.55 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.091 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -110.64 -24.83 10.29 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.566 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 93.8 m -138.96 162.83 33.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.332 0.587 . . . . 0.0 112.152 -176.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.06 -31.89 73.13 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 114.708 -1.133 . . . . 0.0 113.612 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -65.58 150.06 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.416 0.627 . . . . 0.0 112.191 -172.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 62' ' ' ARG . 42.8 ttm105 -120.12 145.84 46.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.895 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -111.74 147.76 34.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.249 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 67.3 mt -125.92 137.51 57.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.018 -173.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -83.87 146.78 27.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.442 177.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 67' ' ' SER . 7.6 pt-20 -45.05 -39.81 6.1 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 50.8 m -75.83 -4.08 38.7 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -172.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -93.28 -28.92 15.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.912 0.387 . . . . 0.0 110.21 175.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.688 -174.543 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ppp? . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.809 0.337 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -85.64 103.5 14.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.304 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -101.04 154.48 18.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.259 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 79.1 mt-30 -74.06 115.93 47.44 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 120.957 0.408 . . . . 0.0 110.197 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 4' ' ' GLN . 31.7 Cg_exo -58.59 131.68 43.87 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.102 2.535 . . . . 0.0 112.729 -175.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -90.93 111.73 23.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.03 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -89.32 91.92 8.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.414 0.626 . . . . 0.0 110.786 -176.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -97.1 99.55 11.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.988 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -92.58 7.52 42.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.062 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -76.04 107.55 8.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.549 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.7 m -127.86 99.37 5.5 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.85 130.0 41.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.26 -175.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -151.36 122.97 7.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.948 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 64.1 mtt -103.29 110.49 22.49 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.434 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -90.98 50.94 1.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.504 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' ' 18' ' ' ALA . 25.9 mt 64.15 164.51 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.613 0.765 . . . . 0.0 110.845 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 16' ' ' ILE . 11.5 pt-20 -140.26 21.95 2.4 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.409 -173.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.505 ' H ' HG22 ' A' ' 16' ' ' ILE . . . -149.63 89.42 4.73 Favored Pre-proline 0 C--N 1.313 -0.983 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.095 -175.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -96.43 150.67 1.2 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.254 2.636 . . . . 0.0 110.877 169.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.08 96.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.579 0.704 . . . . 0.0 110.377 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 85.5 m -138.48 139.66 38.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.541 -174.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.523 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 48.9 t -113.4 131.1 66.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.009 176.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -86.97 123.94 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.931 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.2 m -119.58 153.73 22.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.285 0.564 . . . . 0.0 111.578 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -102.57 -3.82 26.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.289 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.8 m -119.39 130.99 55.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.428 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -66.84 -29.28 69.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.731 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -97.13 113.87 25.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -113.24 150.86 15.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.994 0.426 . . . . 0.0 110.525 -176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.7 104.68 14.44 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.606 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 13.0 t -92.62 155.79 17.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.859 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -171.45 84.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -173.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.51 ' HA2' ' HA2' ' A' ' 39' ' ' GLY . . . 103.98 -153.61 17.76 Favored Glycine 0 C--N 1.314 -0.674 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.423 173.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.67 -144.06 6.43 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.087 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.84 170.04 8.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.95 -125.52 39.22 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.866 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.99 11.75 31.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.176 0.512 . . . . 0.0 110.715 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.7 mt -83.43 120.61 26.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.399 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.51 ' HA2' ' HA2' ' A' ' 33' ' ' GLY . . . -153.29 145.14 12.29 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.991 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.65 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 34.8 p80 -155.49 157.26 31.56 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.62 171.13 11.23 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.504 2.136 . . . . 0.0 112.302 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 39.2 ttm180 -63.09 121.51 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.619 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -129.02 154.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -106.75 119.58 39.71 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.181 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.0 mt -110.71 159.24 17.79 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.226 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.6 t -124.08 120.99 33.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.843 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.734 HG12 HG12 ' A' ' 54' ' ' VAL . 59.4 mt -80.91 121.69 81.15 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.397 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.475 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 31.6 Cg_exo -60.84 124.46 15.0 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.669 2.246 . . . . 0.0 111.246 176.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -72.15 -28.16 63.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 -170.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.9 pm0 -92.85 5.73 50.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.234 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.475 ' HB ' ' HB2' ' A' ' 48' ' ' PRO . 17.0 m -115.36 -39.11 3.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.38 -37.21 3.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.354 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.517 ' HB3' HG13 ' A' ' 64' ' ' ILE . 37.5 p90 -148.0 166.31 28.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.754 0.311 . . . . 0.0 110.927 -178.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.734 HG12 HG12 ' A' ' 47' ' ' ILE . 10.4 p -143.33 143.91 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.109 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -99.31 149.34 23.23 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.516 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 52.9 t -74.58 137.87 42.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.62 -13.56 81.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.342 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -104.91 -61.05 1.52 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.103 0.478 . . . . 0.0 110.818 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.65 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 74.9 m -97.35 155.27 16.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.012 -176.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.34 8.05 12.36 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -80.32 129.88 34.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.053 0.454 . . . . 0.0 110.25 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' A' ' 21' ' ' THR . 5.6 tmm_? -103.6 143.66 32.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.926 -177.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.523 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 94.0 m-85 -117.63 135.88 53.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.284 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.633 HD11 ' HD2' ' A' ' 68' ' ' PHE . 15.1 tt -137.37 144.36 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.648 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -73.09 144.3 47.06 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -53.77 -33.46 55.94 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -176.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.3 t -67.78 -33.44 74.82 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 -177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.633 ' HD2' HD11 ' A' ' 64' ' ' ILE . 7.6 t80 -88.22 -14.96 37.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.224 0.535 . . . . 0.0 110.031 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.15 -37.67 14.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.261 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.81 13.75 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.58 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.19 124.51 29.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.056 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -79.31 69.36 5.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 122.186 0.993 . . . . 0.0 110.302 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.9 mt -134.33 160.26 38.46 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 113.943 -1.48 . . . . 0.0 109.385 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -80.78 101.44 9.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.183 0.516 . . . . 0.0 111.203 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -85.4 71.08 10.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.82 77.61 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.086 -176.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -151.08 75.16 1.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -105.89 -47.53 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.29 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -147.29 146.37 29.71 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.118 176.761 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.9 ttp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.79 0.329 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -99.43 110.95 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -82.87 113.18 20.31 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.162 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.37 98.08 49.83 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -63.32 118.46 5.38 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.86 2.373 . . . . 0.0 112.591 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 34.7 mmtt -122.43 129.24 51.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.828 176.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 p -109.49 158.41 18.0 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.3 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -142.88 92.11 2.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.579 0.704 . . . . 0.0 109.808 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -106.33 133.3 51.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.88 -173.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -118.8 102.63 8.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.587 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.8 m -138.33 31.32 2.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.98 0.419 . . . . 0.0 111.261 -177.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.48 105.55 5.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.501 ' NE ' ' HA ' ' A' ' 13' ' ' ARG . 4.3 mmp_? -115.98 -14.99 11.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.523 -175.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 87.2 mtp -115.7 153.24 31.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.835 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t 66.1 80.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.687 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.582 ' H ' HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -100.86 159.88 3.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 174.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -157.5 167.78 29.2 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -175.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -59.39 115.61 13.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 123.37 0.418 . . . . 0.0 110.806 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 16.5 Cg_exo -67.18 145.61 73.32 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.032 2.488 . . . . 0.0 112.632 -176.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.655 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 25.3 tp10 -109.01 102.31 11.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.76 177.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -130.52 133.92 46.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.296 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.98 137.74 48.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.174 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.4 t -95.26 121.56 45.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 174.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.05 147.55 26.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.281 0.562 . . . . 0.0 111.863 -174.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.8 m -103.04 -17.61 15.35 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.029 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.1 p -93.58 154.45 17.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.51 -176.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -79.65 -55.39 5.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.586 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -94.87 121.66 36.69 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -116.62 152.15 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.07 106.32 18.54 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.723 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 41.6 t -89.85 141.88 28.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -135.8 26.56 3.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.618 0.723 . . . . 0.0 110.551 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.5 -149.89 19.44 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.766 -0.73 . . . . 0.0 113.449 174.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -171.76 -127.38 0.95 Allowed Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -74.33 170.93 14.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.679 0.276 . . . . 0.0 111.438 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.71 79.19 0.59 Allowed Glycine 0 C--N 1.334 0.422 0 CA-C-N 116.041 -0.527 . . . . 0.0 113.156 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 170.8 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.894 -1.153 . . . . 0.0 108.501 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.62 ' HB3' ' HB2' ' A' ' 59' ' ' CYS . 78.5 mt -116.96 33.98 5.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.84 -177.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.74 142.5 16.02 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.609 -177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.545 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 33.8 p80 -166.18 162.97 12.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 63.4 Cg_endo -73.01 177.24 8.01 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.407 2.071 . . . . 0.0 112.614 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 41.0 ttm180 -61.15 115.24 3.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.593 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.613 HG22 ' H ' ' A' ' 44' ' ' TRP . 9.9 p -122.6 169.81 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.049 176.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.613 ' H ' HG22 ' A' ' 43' ' ' VAL . 99.0 m95 -107.62 110.63 22.56 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.095 -176.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -105.15 165.73 10.89 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 t -147.85 129.51 15.08 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.571 HD13 HG12 ' A' ' 54' ' ' VAL . 46.2 mm -69.1 114.46 23.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.537 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.557 ' HD3' ' HB ' ' A' ' 54' ' ' VAL . 35.7 Cg_exo -60.82 125.99 18.58 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.728 2.285 . . . . 0.0 111.531 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -75.76 -5.81 47.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.258 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -107.19 5.39 27.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.574 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.444 ' HB ' ' HB2' ' A' ' 48' ' ' PRO . 11.5 m -135.46 -53.25 0.77 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -174.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.95 -19.4 35.4 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.144 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' HB2' HD13 ' A' ' 64' ' ' ILE . 48.0 p90 -149.76 163.13 38.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.571 HG12 HD13 ' A' ' 47' ' ' ILE . 11.3 p -155.21 148.62 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.203 0.525 . . . . 0.0 111.361 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -120.17 154.48 34.73 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.31 156.99 18.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.046 0.451 . . . . 0.0 111.104 -174.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.72 -19.54 47.67 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.574 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -84.98 -22.1 29.26 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.415 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.62 ' HB2' ' HB3' ' A' ' 38' ' ' LEU . 13.4 p -154.52 145.4 22.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.602 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' H ' HD22 ' A' ' 38' ' ' LEU . 5.3 m-20 -78.21 34.22 0.2 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.677 -178.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.655 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 34.3 ttt180 -86.68 137.8 32.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -110.3 132.05 54.51 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.483 -176.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -114.25 120.25 39.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.899 0.38 . . . . 0.0 110.276 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.422 HD13 ' HB2' ' A' ' 53' ' ' PHE . 35.2 mm -113.12 132.05 63.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.717 -177.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -69.68 143.33 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -52.53 -30.93 33.05 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -71.02 -18.45 62.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.699 0.285 . . . . 0.0 111.167 -176.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -103.33 -12.9 16.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.347 0.594 . . . . 0.0 110.508 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.85 57.83 1.01 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.208 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 64.76 17.26 10.88 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.927 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 68.0 -171.28 0.19 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.668 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -133.14 163.4 29.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.616 -176.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.8 136.22 57.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 111.268 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -85.39 108.41 17.83 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.095 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -147.16 117.0 7.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.09 0.472 . . . . 0.0 111.335 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -147.43 177.46 9.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.098 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -102.35 141.4 35.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.959 0.409 . . . . 0.0 110.631 -177.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -153.2 148.89 27.41 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.204 -177.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -152.53 168.02 26.92 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.3 p80 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.439 179.066 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.541 ' HG3' ' H ' ' A' ' 3' ' ' ARG . 47.3 tpp . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -90.03 4.61 49.68 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -172.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.541 ' H ' ' HG3' ' A' ' 1' ' ' MET . 38.3 mtm180 -80.32 91.72 5.69 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 171.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.529 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 75.2 mt-30 -122.31 170.17 8.34 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.294 -173.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 4' ' ' GLN . 75.5 Cg_exo -50.8 104.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.048 2.499 . . . . 0.0 114.036 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -98.11 114.29 26.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.707 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.7 t -170.33 159.61 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.013 0.435 . . . . 0.0 111.07 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -151.84 113.09 4.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.032 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -77.41 157.55 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.119 0.485 . . . . 0.0 111.089 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -99.41 137.69 37.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m 60.26 92.11 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 O-C-N 123.943 0.777 . . . . 0.0 111.601 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.11 -8.17 30.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.522 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 tpp180 69.11 -74.02 0.08 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.282 0.633 . . . . 0.0 111.655 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -66.19 122.63 17.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.964 0.411 . . . . 0.0 110.797 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.8 m -104.11 105.33 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.139 0.495 . . . . 0.0 110.757 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.447 HG22 ' H ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -127.33 167.51 22.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' H ' HG22 ' A' ' 16' ' ' ILE . 31.0 mt-10 -112.66 178.1 4.41 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.48 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -91.9 130.36 38.8 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.219 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 18.5 Cg_exo -67.05 165.68 25.54 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.135 2.557 . . . . 0.0 112.052 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -85.47 130.03 34.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.926 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -90.87 162.51 14.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.329 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.52 113.14 40.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.962 0.41 . . . . 0.0 110.528 -176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 58.3 t -90.37 123.43 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.089 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.32 151.28 13.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.388 0.613 . . . . 0.0 111.355 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -102.37 0.12 33.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.466 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -114.81 157.93 22.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.946 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -90.29 -27.56 19.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.95 0.405 . . . . 0.0 110.282 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -98.17 140.3 32.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.074 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.559 HG23 ' HB2' ' A' ' 45' ' ' LEU . 4.9 m -131.5 119.2 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-O 121.511 0.672 . . . . 0.0 110.651 174.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.01 93.62 9.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.029 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 49.2 t -85.7 127.79 34.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.547 0.689 . . . . 0.0 110.587 -172.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -114.44 6.88 16.11 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.629 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.595 ' HA3' ' HA2' ' A' ' 39' ' ' GLY . . . 97.67 -157.91 20.81 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.213 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.32 -128.39 6.37 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.913 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.61 175.06 5.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.851 0.358 . . . . 0.0 111.305 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.12 133.24 41.73 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.997 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 71.79 -18.32 0.31 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.816 0.846 . . . . 0.0 112.351 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 38' ' ' LEU . 1.1 tm? -87.58 -23.51 24.3 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.595 ' HA2' ' HA3' ' A' ' 33' ' ' GLY . . . -73.79 -168.98 17.58 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.693 -0.685 . . . . 0.0 113.508 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.574 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 6.9 p80 -147.61 169.53 9.17 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.574 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 7.5 Cg_endo -50.18 140.58 32.9 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.378 2.052 . . . . 0.0 111.379 173.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 33.1 ttm180 -66.26 120.77 13.84 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.479 -174.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.9 t -119.52 156.2 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.781 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -109.39 107.6 17.84 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.236 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.559 ' HB2' HG23 ' A' ' 29' ' ' VAL . 68.9 mt -105.99 160.76 15.04 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.7 t -136.95 130.07 31.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.902 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.7 mt -73.73 129.35 85.37 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.236 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -51.67 121.44 8.59 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.835 2.356 . . . . 0.0 111.925 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -77.16 70.59 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.418 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.477 ' HG3' HG23 ' A' ' 51' ' ' THR . 9.5 pt-20 -173.27 -33.76 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.496 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.477 HG23 ' HG3' ' A' ' 50' ' ' GLU . 25.9 p -107.77 -75.51 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.498 -176.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.646 ' HA3' ' HB2' ' A' ' 68' ' ' PHE . . . 129.74 8.58 3.42 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.573 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -136.24 153.44 51.21 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -133.59 -45.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.02 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.56 ' HG2' ' HG3' ' A' ' 62' ' ' ARG . 48.4 mt-10 65.68 -167.17 0.22 Allowed 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.291 0.37 . . . . 0.0 110.032 -174.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.1 t -142.12 138.71 31.84 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.159 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.51 41.25 2.27 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 174.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -155.49 -48.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.8 t -106.58 162.15 13.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.267 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.19 12.64 28.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.896 0.379 . . . . 0.0 111.485 -176.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -89.92 128.44 36.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.498 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.56 ' HG3' ' HG2' ' A' ' 55' ' ' GLU . 44.1 ttm180 -91.74 147.17 23.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.966 176.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -128.27 135.26 49.41 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.514 0.197 . . . . 0.0 110.489 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 79.7 mt -128.33 135.27 63.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.437 -177.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -79.48 148.8 31.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -54.48 -31.07 55.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.608 ' HA ' ' O ' ' A' ' 71' ' ' ALA . 10.8 t -74.19 -31.07 62.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.548 0.213 . . . . 0.0 110.813 -177.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.646 ' HB2' ' HA3' ' A' ' 52' ' ' GLY . 74.5 t80 -79.55 -20.47 46.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.522 0.677 . . . . 0.0 109.474 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.16 -58.34 3.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.739 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -170.23 -33.69 0.02 OUTLIER 'General case' 0 C--O 1.232 0.172 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.608 ' O ' ' HA ' ' A' ' 67' ' ' SER . . . -70.16 144.14 52.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.276 0.56 . . . . 0.0 112.021 -172.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -125.67 143.32 51.09 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.6 mt -96.57 141.22 30.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.035 0.445 . . . . 0.0 111.348 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 75' ' ' HIS . 1.8 tm-20 -101.35 -166.86 1.35 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.537 ' H ' ' CD ' ' A' ' 74' ' ' GLU . 61.7 m80 59.5 34.51 22.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.463 0.649 . . . . 0.0 110.501 -177.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -84.17 3.97 32.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.289 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -57.51 104.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.545 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -105.37 134.1 49.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -83.68 135.83 34.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.044 0.45 . . . . 0.0 111.394 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.883 175.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 2' ' ' ARG . 25.8 mmt180 -114.37 101.77 9.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.235 0.541 . . . . 0.0 112.138 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -149.63 93.07 2.0 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.626 171.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.73 117.29 68.32 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.9 108.64 0.78 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.89 2.394 . . . . 0.0 112.563 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -130.24 95.69 3.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.001 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.4 m -116.93 131.27 57.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.478 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -101.68 102.06 12.68 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -95.92 110.86 22.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.369 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -128.49 104.03 7.46 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.348 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -120.37 84.44 2.22 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.38 117.0 19.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.688 -171.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -75.11 -44.95 44.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.637 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.4 ttt -132.39 93.39 3.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.138 0.494 . . . . 0.0 109.965 178.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m -85.33 99.91 11.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.143 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mt -105.33 164.13 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -157.48 131.26 8.05 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.758 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.24 67.77 4.09 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 121.07 0.462 . . . . 0.0 110.708 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -93.17 164.04 2.51 Favored 'Trans proline' 0 N--CA 1.445 -1.339 0 C-N-CA 122.655 2.236 . . . . 0.0 111.71 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -117.79 86.99 2.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.571 0.7 . . . . 0.0 110.302 175.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -90.79 113.63 25.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.548 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.428 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 61.6 t -79.54 119.82 29.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.514 -174.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 45.7 t -82.39 116.21 26.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.457 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -109.98 153.07 11.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.886 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.4 t -112.64 7.0 18.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.832 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 28' ' ' LYS . 7.3 m -128.79 132.69 47.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.243 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.462 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 87.3 m95 -79.9 -21.49 43.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.26 0.552 . . . . 0.0 111.188 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' H ' HG22 ' A' ' 26' ' ' THR . 27.3 mmmt -102.03 103.98 14.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.966 177.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.8 m -109.47 151.47 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.82 0.343 . . . . 0.0 111.288 -175.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.71 112.19 18.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.663 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 39.1 t -100.75 149.02 24.24 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -141.79 26.12 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.694 0.759 . . . . 0.0 110.05 -176.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.72 -138.21 17.21 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.454 -0.793 . . . . 0.0 112.726 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -117.61 -156.79 10.49 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.156 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -63.88 151.33 42.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.875 0.369 . . . . 0.0 110.581 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.11 -122.28 23.41 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.55 -174.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -124.67 21.42 8.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.287 0.565 . . . . 0.0 109.606 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -73.79 112.57 10.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.236 -176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.36 -134.96 8.53 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.329 -0.939 . . . . 0.0 112.618 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -114.18 157.68 41.62 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 115.377 -0.411 . . . . 0.0 110.237 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.45 160.48 39.23 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.823 2.348 . . . . 0.0 112.082 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.599 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 8.4 tmm_? -52.76 132.56 36.62 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.058 0.456 . . . . 0.0 111.67 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.569 HG21 ' HE2' ' A' ' 58' ' ' TYR . 14.7 p -136.5 160.77 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.868 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.466 ' N ' HG22 ' A' ' 43' ' ' VAL . 97.4 m95 -112.22 129.95 56.09 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.758 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -123.56 163.22 21.41 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.1 t -129.45 109.87 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.661 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.495 HG12 HG11 ' A' ' 54' ' ' VAL . 58.8 mt -71.67 125.79 91.65 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.687 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 16.6 Cg_exo -67.61 126.15 14.35 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.593 2.196 . . . . 0.0 111.747 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.462 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 22.8 m-70 -68.23 -26.46 65.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.801 -176.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -75.83 -14.34 60.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.887 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.3 p -113.85 -37.57 4.48 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.327 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.544 ' HA3' ' CD1' ' A' ' 68' ' ' PHE . . . 83.88 -26.73 4.66 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.182 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -119.41 156.71 29.64 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.495 HG11 HG12 ' A' ' 47' ' ' ILE . 14.8 p -142.68 140.02 28.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.93 0.395 . . . . 0.0 111.056 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -94.52 132.91 38.69 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.551 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 52.0 t -68.49 135.43 51.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.989 0.423 . . . . 0.0 110.363 -178.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.4 -27.0 74.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.86 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.569 ' HE2' HG21 ' A' ' 43' ' ' VAL . 75.2 m-85 -87.2 -55.38 3.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.217 0.532 . . . . 0.0 111.18 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.551 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 12.3 p -119.19 154.81 32.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.022 -171.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -77.03 40.86 0.27 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.056 0.931 . . . . 0.0 110.605 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.413 ' H ' ' C ' ' A' ' 59' ' ' CYS . 16.8 ttt180 -100.11 142.57 31.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.756 174.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -122.84 139.36 54.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.096 0.474 . . . . 0.0 110.909 -175.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.428 ' CD2' ' HB ' ' A' ' 22' ' ' VAL . 91.6 m-85 -120.07 142.17 49.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.635 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 18.3 tt -133.8 138.0 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.273 -178.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -72.29 147.77 46.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.406 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -49.7 -37.36 28.68 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.621 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.1 t -63.74 -42.09 97.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.544 ' CD1' ' HA3' ' A' ' 52' ' ' GLY . 43.7 m-85 -84.15 -9.12 58.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.929 0.395 . . . . 0.0 110.977 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.82 64.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.879 175.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.38 -27.92 52.66 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.91 173.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 74.4 -70.49 0.15 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.017 175.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -167.56 -36.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.67 -173.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.4 mt -93.45 167.75 11.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.679 -174.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 76.46 112.74 0.07 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.501 1.126 . . . . 0.0 111.507 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -129.39 86.51 2.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.865 0.841 . . . . 0.0 109.788 174.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -148.25 -177.35 5.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.274 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -89.37 91.89 8.92 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -76.41 82.63 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.373 -173.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 73.62 -13.43 0.74 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.76 0.824 . . . . 0.0 111.606 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.0 p80 . . . . . 0 C--O 1.249 1.043 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.456 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.788 0.328 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -76.93 110.0 11.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.6 99.38 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.767 -178.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -174.06 89.44 0.35 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.144 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -86.81 124.05 2.16 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.621 2.214 . . . . 0.0 112.461 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -90.56 -9.47 47.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.191 0.52 . . . . 0.0 110.418 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.3 m -133.86 128.86 35.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.824 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -101.26 128.86 47.21 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -135.98 175.81 9.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.125 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 61.74 35.48 16.81 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.625 0.578 . . . . 0.0 110.675 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.5 m -84.18 139.57 32.31 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.911 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 73.31 -57.28 0.64 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.407 0.683 . . . . 0.0 110.814 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -97.79 95.55 7.62 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 173.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 84.6 mtp -75.9 -30.12 58.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.214 -173.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m 68.7 131.96 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 O-C-N 124.028 0.83 . . . . 0.0 111.963 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 pp -112.81 154.3 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.995 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -81.29 100.54 9.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.68 132.52 61.18 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.991 -174.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.24 170.8 18.03 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.629 2.219 . . . . 0.0 111.238 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' O ' ' HB ' ' A' ' 21' ' ' THR . 0.5 OUTLIER 68.52 174.66 0.28 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -176.414 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' A' ' 20' ' ' GLU . 18.7 m 66.92 141.81 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.66 0.743 . . . . 0.0 111.101 -176.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.504 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 46.1 t -101.2 104.35 16.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 O-C-N 121.971 -0.456 . . . . 0.0 111.275 -173.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.479 HG22 ' HB ' ' A' ' 64' ' ' ILE . 72.0 t -99.91 125.13 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.05 172.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.8 163.27 22.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.345 0.593 . . . . 0.0 111.971 -172.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 t -99.84 -0.57 39.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 174.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 m -98.45 133.93 42.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.062 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -78.17 -36.04 48.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.755 0.312 . . . . 0.0 111.406 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -87.01 115.24 24.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.181 0.515 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.6 135.37 59.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.05 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.55 106.03 18.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.3 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.4 t -86.67 148.65 25.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.934 -178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -163.88 72.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.621 0.725 . . . . 0.0 109.527 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.657 ' HA2' ' HA2' ' A' ' 39' ' ' GLY . . . 105.84 -170.24 16.79 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.087 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.745 ' HA3' ' SG ' ' A' ' 59' ' ' CYS . . . -176.64 -159.86 22.81 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.658 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -74.73 154.5 38.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 110.411 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.38 -127.83 14.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.681 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -114.78 14.29 17.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.774 0.321 . . . . 0.0 110.688 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.7 71.55 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.045 0.45 . . . . 0.0 111.272 -176.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.657 ' HA2' ' HA2' ' A' ' 33' ' ' GLY . . . -100.28 150.87 19.0 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.633 176.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.447 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 31.7 p80 -158.24 161.92 27.79 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 13.5 Cg_endo -57.88 159.24 18.31 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.655 2.237 . . . . 0.0 111.931 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 5.1 tmm_? -65.43 128.91 37.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.317 0.579 . . . . 0.0 111.079 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -126.82 156.76 38.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.727 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -104.65 112.1 25.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.129 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.7 mt -108.17 153.77 22.69 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.037 0.446 . . . . 0.0 110.884 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 t -120.62 106.98 12.27 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.12 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.557 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 70.7 mt -54.04 123.17 39.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.982 -178.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.444 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 99.8 Cg_exo -44.58 118.65 1.89 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.327 2.685 . . . . 0.0 112.34 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -81.12 -6.97 59.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.029 -167.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -101.85 -25.49 13.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.983 0.421 . . . . 0.0 110.928 -178.608 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 4.0 p -99.38 -52.53 3.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.589 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.92 7.73 26.85 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.31 -0.947 . . . . 0.0 113.028 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -149.44 145.35 26.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.557 ' HB ' ' HA ' ' A' ' 47' ' ' ILE . 7.2 p -113.24 130.15 67.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.447 0.641 . . . . 0.0 111.835 -177.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -104.55 109.66 21.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.256 -0.883 . . . . 0.0 108.729 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.79 136.68 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.005 0.431 . . . . 0.0 111.338 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.71 35.02 3.98 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.903 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -150.34 -61.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.745 ' SG ' ' HA3' ' A' ' 34' ' ' GLY . 23.3 t -102.63 177.69 4.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.813 179.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.93 57.64 0.64 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.809 0.814 . . . . 0.0 109.859 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.512 ' HD2' ' HA2' ' A' ' 34' ' ' GLY . 1.4 mmp_? -112.58 124.83 53.41 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.326 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -102.73 116.6 32.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.163 0.506 . . . . 0.0 111.073 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.522 ' HB2' HG12 ' A' ' 54' ' ' VAL . 38.7 m-85 -103.01 131.18 50.18 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.479 ' HB ' HG22 ' A' ' 23' ' ' VAL . 59.3 mt -113.83 139.44 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.837 0.351 . . . . 0.0 110.682 -174.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -85.65 144.43 27.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -54.98 -28.76 54.27 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 t -72.33 -30.69 64.98 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.069 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -79.92 -27.26 39.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.052 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 173.5 97.28 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.257 -175.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.16 -69.96 0.67 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.859 0.362 . . . . 0.0 111.424 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -165.45 -173.54 2.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.935 -177.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -98.57 -39.11 8.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.7 mt -107.45 -163.05 0.87 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.589 175.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -70.21 -40.27 74.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.9 t60 48.98 37.28 9.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.856 0.862 . . . . 0.0 112.634 170.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -116.64 138.14 51.66 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 174.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -76.13 113.55 13.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.555 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -77.02 101.88 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.906 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -98.93 -174.85 2.88 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.807 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 C--N 1.319 -0.742 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.233 179.757 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 120.674 0.273 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -146.9 117.58 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.67 -172.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -127.88 133.95 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 4' ' ' GLN . 12.2 mm-40 -120.22 93.24 47.94 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -94.13 83.59 0.15 Allowed 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 123.067 2.511 . . . . 0.0 110.444 169.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -76.06 -53.26 8.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.006 0.432 . . . . 0.0 111.007 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.548 HG23 ' HA ' ' A' ' 68' ' ' PHE . 28.0 m -92.36 111.2 22.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.256 -176.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.742 HH21 ' HB2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -118.89 149.96 40.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 173.125 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.431 ' HA ' ' OG ' ' A' ' 67' ' ' SER . 85.2 mt-30 -83.72 61.89 6.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.565 0.697 . . . . 0.0 110.032 176.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -105.99 -153.5 0.49 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.165 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.7 m -129.56 163.22 26.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.282 0.563 . . . . 0.0 111.975 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.68 89.04 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.454 170.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.7 53.55 2.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.825 -174.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.434 ' HB3' HD12 ' A' ' 16' ' ' ILE . 59.7 mtt -140.96 157.6 45.12 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.467 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.9 m -148.83 33.11 0.76 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -100.9 163.11 3.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -69.72 116.61 10.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.944 0.402 . . . . 0.0 110.884 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.3 147.66 65.97 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.795 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.547 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 57.9 Cg_endo -74.48 96.33 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.562 2.174 . . . . 0.0 113.148 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 19' ' ' PRO . 4.4 mm-40 -179.88 -168.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.42 -1.264 . . . . 0.0 108.556 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -73.26 170.35 15.19 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.3 t -82.6 102.31 8.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.239 0.542 . . . . 0.0 110.919 -172.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.403 HG13 ' HA ' ' A' ' 66' ' ' GLU . 46.9 t -84.15 124.21 39.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.067 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.424 HG21 ' CD1' ' A' ' 47' ' ' ILE . 27.2 m -119.9 150.59 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.0 t -105.67 -6.83 18.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.668 0.747 . . . . 0.0 109.434 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -116.65 135.41 53.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.623 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.406 ' HE3' ' HB ' ' A' ' 47' ' ' ILE . 97.5 m95 -75.6 -37.59 59.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.985 0.421 . . . . 0.0 110.581 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -97.25 106.3 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.411 HG23 ' HB2' ' A' ' 45' ' ' LEU . 11.6 m -112.8 130.44 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.404 -175.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.76 107.98 19.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.799 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.4 t -97.98 138.41 35.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.911 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -124.27 14.8 9.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.839 0.828 . . . . 0.0 109.981 -176.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.458 ' HA3' ' HA3' ' A' ' 39' ' ' GLY . . . 85.46 -110.41 3.43 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.584 177.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.37 160.38 28.34 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.87 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.458 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.5 mp0 -53.63 140.27 29.46 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.182 0.515 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.34 -129.2 8.91 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.591 -177.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.67 27.22 8.31 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.344 0.592 . . . . 0.0 109.937 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.8 mt -97.91 28.53 3.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.111 -175.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.458 ' HA3' ' HA3' ' A' ' 33' ' ' GLY . . . -143.93 175.58 23.73 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.287 -0.959 . . . . 0.0 112.833 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -90.25 166.62 19.29 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.96 149.29 80.19 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.179 1.919 . . . . 0.0 111.901 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -52.51 128.89 27.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.506 -176.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.492 HG22 ' N ' ' A' ' 44' ' ' TRP . 10.1 p -134.19 163.93 35.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-O 121.336 0.588 . . . . 0.0 111.06 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.492 ' N ' HG22 ' A' ' 43' ' ' VAL . 92.5 m95 -118.13 115.97 25.89 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.736 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' HB2' HG23 ' A' ' 29' ' ' VAL . 68.5 mt -107.73 160.7 15.52 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 t -135.84 112.78 10.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.489 HG12 HG11 ' A' ' 54' ' ' VAL . 62.7 mt -72.7 128.84 87.73 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.992 -176.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.645 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 75.0 Cg_exo -50.28 123.97 12.11 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.982 2.455 . . . . 0.0 111.53 175.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -80.07 -13.99 58.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.16 -168.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -103.74 -5.72 22.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.779 0.323 . . . . 0.0 110.848 -178.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.645 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 67.1 p -100.31 -55.68 2.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.847 0.356 . . . . 0.0 110.238 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.56 5.56 53.89 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.092 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -153.47 156.29 37.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.703 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.489 HG11 HG12 ' A' ' 47' ' ' ILE . 10.1 p -149.39 146.74 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.364 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -107.05 132.75 52.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 44.1 t -84.77 99.83 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.67 -17.6 75.04 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.205 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -89.89 -26.32 20.52 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.713 0.292 . . . . 0.0 111.478 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -106.87 -85.24 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.2 t70 171.48 -40.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.881 0.738 . . . . 0.0 110.079 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -54.14 138.58 37.73 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.438 -174.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 49.2 ttm-85 -105.58 129.22 53.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.996 173.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -109.69 140.13 43.91 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -176.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.0 tt -131.41 144.91 36.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.402 ' HB3' ' HD1' ' A' ' 68' ' ' PHE . 50.4 t-80 -72.15 146.92 47.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.7 0.286 . . . . 0.0 110.759 -178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HA ' HG13 ' A' ' 23' ' ' VAL . 15.2 pt-20 -48.17 -46.01 34.23 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.014 -177.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.514 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 37.7 t -70.37 -36.18 73.98 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.702 0.286 . . . . 0.0 111.222 -173.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.548 ' HA ' HG23 ' A' ' 7' ' ' THR . 87.6 m-85 -78.64 -17.95 55.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.911 0.386 . . . . 0.0 111.174 -177.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.41 -73.16 0.44 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.017 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.24 42.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.484 -176.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.514 ' HB2' ' HA ' ' A' ' 67' ' ' SER . . . -56.04 135.93 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.191 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.742 ' HB2' HH21 ' A' ' 8' ' ' ARG . 87.8 tttt -170.8 -30.6 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.316 0.579 . . . . 0.0 110.126 -177.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.8 mt -75.41 155.55 36.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.097 -176.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.98 179.05 8.16 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.151 178.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.48 75.41 0.43 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.5 m170 67.12 84.8 0.15 Allowed 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.919 -171.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -68.13 140.15 56.17 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -53.44 124.05 13.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.167 0.508 . . . . 0.0 110.935 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -85.1 -8.83 58.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.909 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.9 m80 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.643 175.101 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 tpt . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.37 -0.234 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 71.64 102.37 0.07 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.959 0.787 . . . . 0.0 111.327 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.414 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 31.9 mtm180 -120.09 109.4 15.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.426 176.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -103.57 105.67 48.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.808 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 3' ' ' ARG . 41.6 Cg_endo -90.12 158.01 4.77 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.868 2.379 . . . . 0.0 112.484 177.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 52.25 89.76 0.03 OUTLIER 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.888 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -168.29 137.51 2.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.812 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -125.12 106.7 10.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.965 0.412 . . . . 0.0 111.518 -175.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.19 91.47 8.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 171.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -70.14 100.78 1.71 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.672 0.748 . . . . 0.0 111.636 -174.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 t -102.16 112.62 25.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.075 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.61 94.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.317 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -79.51 95.44 5.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.424 0.631 . . . . 0.0 109.838 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.9 ptp -99.97 -20.85 15.89 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.01 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.7 t -77.78 112.25 14.43 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pp -102.8 139.21 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-O 121.188 0.518 . . . . 0.0 111.994 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -145.03 103.0 3.83 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -144.47 111.68 5.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.799 0.333 . . . . 0.0 111.895 -175.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 4.1 Cg_exo -83.92 37.16 0.62 Allowed 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 123.632 2.888 . . . . 0.0 111.675 172.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' O ' ' HB ' ' A' ' 21' ' ' THR . 42.7 tt0 -88.39 150.88 22.95 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.158 -1.383 . . . . 0.0 110.9 -175.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 20' ' ' GLU . 24.3 m 69.44 128.89 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 124.127 0.892 . . . . 0.0 112.4 177.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 t -110.78 119.8 60.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.778 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.81 127.48 43.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.905 0.383 . . . . 0.0 110.554 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.458 ' HB ' HG22 ' A' ' 26' ' ' THR . 29.0 m -134.5 152.47 33.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -113.27 18.5 17.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.458 HG22 ' HB ' ' A' ' 24' ' ' VAL . 5.2 t -117.55 155.12 30.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.044 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -96.25 -9.19 30.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.342 . . . . 0.0 111.6 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -126.0 121.91 34.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.799 0.333 . . . . 0.0 110.173 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.8 m -119.24 133.25 66.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.197 0.522 . . . . 0.0 111.52 -176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.55 110.8 21.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.503 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -89.86 141.2 28.87 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 -177.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -127.55 19.73 6.74 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.854 -169.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.85 -133.92 12.12 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.339 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.18 -108.85 2.27 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.519 -0.633 . . . . 0.0 111.519 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.741 ' HB2' HD12 ' A' ' 38' ' ' LEU . 41.6 mt-10 -87.04 -177.74 6.11 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 114.955 -0.623 . . . . 0.0 109.627 174.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.38 115.45 7.08 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.878 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 73.26 6.41 5.18 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.777 0.831 . . . . 0.0 111.969 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.741 HD12 ' HB2' ' A' ' 35' ' ' GLU . 96.9 mt -111.58 89.27 3.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.552 0.215 . . . . 0.0 110.494 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.51 -144.74 12.42 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.044 -1.074 . . . . 0.0 112.614 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.667 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 33.7 p80 -97.64 161.92 24.2 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.598 -0.301 . . . . 0.0 110.927 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.3 156.67 44.54 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.506 2.137 . . . . 0.0 110.954 172.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.98 121.94 15.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.807 0.337 . . . . 0.0 111.607 -172.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -123.22 157.44 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -110.01 120.28 41.96 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.798 0.332 . . . . 0.0 110.386 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -109.34 162.79 13.99 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.413 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.2 m -126.08 131.87 52.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.722 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 55.0 mt -90.94 129.29 44.64 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.282 -174.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.561 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 38.5 Cg_exo -57.6 129.44 33.76 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.929 2.419 . . . . 0.0 111.645 174.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -78.95 -21.5 47.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.634 -170.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.79 -24.29 22.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.026 -176.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.561 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 18.4 p -97.54 -45.0 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.62 17.94 46.88 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.741 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' HB3' HG13 ' A' ' 64' ' ' ILE . 27.7 p90 -154.42 151.81 29.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 63' ' ' TYR . 14.1 p -125.52 141.68 44.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.875 0.369 . . . . 0.0 110.772 -176.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -97.05 147.37 24.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.924 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.0 t -116.2 119.82 36.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.738 0.304 . . . . 0.0 110.522 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.84 -3.1 71.12 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.576 175.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.4 -47.86 10.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.459 -0.37 . . . . 0.0 110.676 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 69.7 m -143.81 179.42 7.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.951 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -78.12 11.6 2.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -173.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -78.52 154.51 30.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.017 0.437 . . . . 0.0 111.156 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -149.03 127.85 12.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' HB2' HG12 ' A' ' 54' ' ' VAL . 52.2 m-85 -107.62 138.11 44.43 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -174.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.411 HG13 ' HB3' ' A' ' 53' ' ' PHE . 15.9 tt -134.18 148.37 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.87 0.367 . . . . 0.0 111.06 -177.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -72.9 146.44 46.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.949 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 67' ' ' SER . 4.1 pt-20 -45.43 -43.82 11.66 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.777 0.831 . . . . 0.0 113.183 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 23.1 t -69.73 -28.69 66.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.981 0.42 . . . . 0.0 111.603 -172.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -89.19 -14.61 35.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.983 0.42 . . . . 0.0 110.509 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -97.19 29.4 3.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.15 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.45 33.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.612 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.94 -26.62 54.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.282 0.563 . . . . 0.0 110.672 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -106.36 -173.8 2.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.846 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.6 141.89 48.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.858 0.361 . . . . 0.0 110.212 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -108.48 179.82 4.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.326 0.584 . . . . 0.0 111.712 -174.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -150.34 37.29 0.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -92.36 4.58 53.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.143 -173.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -74.64 99.71 3.74 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -167.84 -39.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.335 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -133.48 148.87 51.73 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 169.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.938 -174.588 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.688 0.28 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -69.34 117.4 10.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.22 0.534 . . . . 0.0 111.367 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -165.75 119.53 1.18 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 57.13 70.1 1.47 Allowed Pre-proline 0 CA--C 1.534 0.345 0 O-C-N 123.739 0.65 . . . . 0.0 110.264 -175.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.74 80.44 2.59 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.913 2.408 . . . . 0.0 112.689 -175.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -126.69 121.57 32.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.262 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 p -83.79 124.59 31.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.055 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -54.96 -64.92 0.68 Allowed 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.443 0.465 . . . . 0.0 110.474 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -141.31 129.39 22.05 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.18 131.9 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.6 m -77.22 85.5 3.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.21 -169.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.05 100.3 12.53 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -70.26 124.52 24.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.553 0.692 . . . . 0.0 112.68 -171.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.4 tpt -92.97 162.19 14.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.421 171.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.9 m -63.92 88.82 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.04 0.448 . . . . 0.0 111.097 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' ' 17' ' ' GLU . 5.9 mt -134.98 167.64 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 176.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' H ' HG22 ' A' ' 16' ' ' ILE . 34.5 tt0 -93.03 139.62 30.34 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -74.62 139.48 74.37 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.589 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 17.1 Cg_exo -68.62 176.07 6.33 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.082 2.521 . . . . 0.0 112.811 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.488 ' H ' ' HG3' ' A' ' 35' ' ' GLU . 10.4 tp10 -64.86 120.9 13.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.685 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -79.91 120.64 24.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.849 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.13 129.01 61.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.908 0.385 . . . . 0.0 110.95 -175.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 57.2 t -102.84 124.93 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.721 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 m -118.29 147.95 21.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.237 0.542 . . . . 0.0 112.022 -174.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.0 m -100.86 -21.83 15.0 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.082 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -89.8 157.41 17.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.038 -175.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -86.56 -12.82 47.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 0.0 110.94 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -121.04 143.03 49.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.599 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 63' ' ' TYR . 3.0 t -133.89 159.22 42.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.13 114.03 20.32 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 42.0 t -98.71 130.04 45.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.47 ' OD1' ' HB2' ' A' ' 42' ' ' ARG . 7.9 t70 -117.21 20.27 13.78 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.528 0.68 . . . . 0.0 110.24 -174.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' HA2' ' CD2' ' A' ' 40' ' ' HIS . . . 136.2 -156.72 23.13 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.562 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.52 -161.06 8.65 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.57 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.488 ' HG3' ' H ' ' A' ' 20' ' ' GLU . 25.0 mm-40 -101.09 148.46 25.04 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.45 -114.4 5.68 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.513 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.2 -16.31 40.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.71 130.54 41.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.769 0.318 . . . . 0.0 110.652 -177.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.49 145.52 10.05 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.191 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.404 ' CD2' ' HA2' ' A' ' 33' ' ' GLY . 34.8 p80 -169.67 163.76 6.74 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.05 153.25 65.58 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.036 2.49 . . . . 0.0 111.723 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.497 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 26.9 ttm180 -63.43 122.37 16.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.134 0.492 . . . . 0.0 111.597 -175.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 44' ' ' TRP . 13.1 p -116.53 163.08 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.41 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.462 ' N ' HG22 ' A' ' 43' ' ' VAL . 94.1 m95 -106.81 111.15 23.54 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.93 -177.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -106.88 171.34 7.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.168 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.6 t -143.41 148.44 36.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.394 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.6 mm -87.5 116.14 65.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.403 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.21 126.73 18.46 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.503 2.136 . . . . 0.0 111.511 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -76.93 -16.78 59.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.499 0.666 . . . . 0.0 109.934 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -80.21 -13.53 59.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.397 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 p -125.81 -53.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.648 0.261 . . . . 0.0 111.512 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.73 9.19 35.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.609 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -158.02 156.78 31.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 63' ' ' TYR . 7.9 p -138.92 146.72 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.016 0.436 . . . . 0.0 110.997 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -118.3 126.06 51.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.429 ' HB3' ' H ' ' A' ' 61' ' ' ARG . 36.3 t -64.31 121.66 14.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.922 0.391 . . . . 0.0 111.711 -174.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.84 -5.54 68.33 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.887 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -80.99 -41.72 22.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 p -133.42 -97.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.495 171.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 179.39 91.92 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.455 0.645 . . . . 0.0 110.388 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.429 ' H ' ' HB3' ' A' ' 56' ' ' CYS . 38.2 ttm180 -137.2 152.79 50.28 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 169.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttm105 -115.72 117.76 31.16 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.53 -172.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.489 ' HB2' HG12 ' A' ' 54' ' ' VAL . 87.1 m-85 -107.31 125.55 51.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.484 -178.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 34.3 mm -116.03 139.99 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.696 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -78.75 142.72 36.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.915 0.388 . . . . 0.0 110.482 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.92 -31.93 60.71 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 t -66.63 -18.25 65.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.744 0.307 . . . . 0.0 111.183 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.89 -13.8 22.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.09 0.471 . . . . 0.0 110.775 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.44 -37.66 13.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.248 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.16 -81.58 0.15 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.829 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 66.59 -63.17 0.26 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.05 0.844 . . . . 0.0 112.791 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' H ' ' HD2' ' A' ' 72' ' ' LYS . 8.5 mptt -77.08 -51.5 10.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.713 0.292 . . . . 0.0 110.979 -176.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 73' ' ' LEU . 5.2 mp -83.76 133.57 34.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.983 -177.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 51.93 91.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.428 1.08 . . . . 0.0 111.474 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -66.76 91.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.163 0.506 . . . . 0.0 110.569 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -63.38 98.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.754 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -136.79 -65.93 0.54 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.202 -172.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.23 93.2 0.05 Allowed 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.599 0.562 . . . . 0.0 111.235 -177.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -86.8 133.39 33.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.349 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.4 t60 . . . . . 0 C--N 1.317 -0.808 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.158 174.706 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.516 0.198 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.523 ' HG2' ' HG2' ' A' ' 4' ' ' GLN . 42.7 ttm180 -64.28 115.0 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 174.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -86.66 74.9 9.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.637 -173.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.523 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 4.0 pt20 -169.4 123.86 0.7 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.018 0.437 . . . . 0.0 110.551 173.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 4' ' ' GLN . 4.0 Cg_exo -81.79 45.53 1.98 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.483 2.788 . . . . 0.0 112.132 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -87.54 98.45 11.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.049 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.1 m -127.48 137.1 52.58 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.419 -177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -145.88 111.55 5.52 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -92.49 30.08 1.58 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.951 -173.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -117.06 21.85 12.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.406 0.622 . . . . 0.0 110.299 176.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.4 m -99.22 110.85 23.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.535 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.27 96.94 3.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.857 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HG2' ' H ' ' A' ' 14' ' ' MET . 24.2 ttm180 -137.37 166.59 23.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.472 ' H ' ' HG2' ' A' ' 13' ' ' ARG . 65.5 mtt 76.81 166.76 0.25 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.899 0.749 . . . . 0.0 111.763 176.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.7 m -151.55 114.27 4.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.341 175.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 pp -119.38 150.44 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.476 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -112.06 76.8 1.0 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.283 0.563 . . . . 0.0 109.843 174.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.72 83.84 1.35 Allowed Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.584 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.52 109.61 2.8 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.887 1.725 . . . . 0.0 111.152 175.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 22.4 mm-40 -73.84 91.55 1.97 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.503 0.668 . . . . 0.0 111.794 -175.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -112.81 123.8 51.13 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.272 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.9 t -120.39 128.94 76.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.612 -174.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 43.1 t -95.96 119.97 44.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 m -125.07 151.71 30.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 111.634 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 m -90.25 -13.71 34.85 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.123 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.9 p -101.31 143.63 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.234 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -78.68 -31.37 46.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.014 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -100.8 124.23 46.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.862 0.363 . . . . 0.0 110.595 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -123.6 148.05 27.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.603 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.41 109.74 20.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.848 177.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.0 t -92.81 149.93 20.95 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -161.03 75.05 0.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.17 129.9 6.8 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.656 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.577 ' HA3' ' SG ' ' A' ' 59' ' ' CYS . . . -115.76 -174.34 17.75 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 176.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -78.78 174.15 11.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.132 0.491 . . . . 0.0 111.43 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.04 -115.8 4.41 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.513 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -126.55 13.53 7.55 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.995 0.426 . . . . 0.0 110.39 176.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.5 mt -90.61 71.04 6.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.7 -175.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.68 139.1 14.48 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 173.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.0 p80 -151.1 157.22 35.37 Favored Pre-proline 0 C--N 1.316 -0.873 0 CA-C-N 116.649 0.225 . . . . 0.0 110.53 -175.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.62 168.59 19.52 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.795 2.33 . . . . 0.0 112.364 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -55.06 121.18 8.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.689 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 p -120.48 153.45 23.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.431 0.634 . . . . 0.0 109.918 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -111.48 115.2 28.82 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.623 -175.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.9 mt -112.04 159.34 18.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.406 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.1 t -135.73 115.05 12.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.466 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.561 HG12 HG12 ' A' ' 54' ' ' VAL . 66.2 mt -65.86 124.01 86.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.148 -177.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 29.7 Cg_exo -62.51 127.63 21.34 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.813 2.342 . . . . 0.0 111.491 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -70.78 -24.6 62.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.366 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.44 -19.99 51.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.377 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.9 p -102.31 -48.47 4.18 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.915 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.45 2.37 60.28 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -176.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.502 ' HB2' HD13 ' A' ' 64' ' ' ILE . 50.1 p90 -155.34 156.1 34.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.561 HG12 HG12 ' A' ' 47' ' ' ILE . 12.5 p -137.57 140.22 41.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.007 0.432 . . . . 0.0 110.414 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.45 129.79 54.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.605 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 38.2 t -71.28 151.22 44.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -176.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.5 -19.79 31.41 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.893 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -80.05 -30.38 39.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.577 ' SG ' ' HA3' ' A' ' 34' ' ' GLY . 47.6 t -157.17 169.59 24.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.416 -0.586 . . . . 0.0 109.416 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.6 33.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.157 0.503 . . . . 0.0 111.653 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HD3' ' HB3' ' A' ' 20' ' ' GLU . 10.3 mmt85 -73.04 123.46 23.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.476 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -115.14 113.03 23.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.766 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -100.6 120.84 40.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.023 0.44 . . . . 0.0 110.603 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.502 HD13 ' HB2' ' A' ' 53' ' ' PHE . 25.6 mm -109.23 125.62 66.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.453 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -76.4 136.56 39.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -59.98 -17.35 37.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -173.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.4 p -70.18 -38.33 75.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.258 0.551 . . . . 0.0 110.084 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -79.79 -20.94 45.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.77 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -92.98 1.32 57.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.132 -176.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.18 26.74 3.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.688 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.77 105.78 1.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.3 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -82.62 -35.11 27.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.148 -176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.1 mt -68.93 139.9 55.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.641 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -156.04 167.61 29.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.393 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.4 m170 70.08 5.51 5.32 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.786 0.679 . . . . 0.0 111.934 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -76.06 82.6 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.085 0.469 . . . . 0.0 110.525 -177.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -153.61 -28.41 0.13 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.709 175.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -88.16 -156.67 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 172.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -66.7 -36.44 82.49 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 166.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-N 114.509 -1.223 . . . . 0.0 108.969 170.358 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 71.56 -48.03 0.67 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.628 0.771 . . . . 0.0 111.31 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -102.18 103.24 13.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.134 0.492 . . . . 0.0 111.254 178.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.9 161.88 55.14 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.134 174.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.23 108.06 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.297 1.998 . . . . 0.0 110.836 170.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -116.04 119.96 37.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.536 -171.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 t -159.81 112.94 2.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.151 0.5 . . . . 0.0 111.45 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 65.73 -166.9 0.22 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.559 173.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -132.73 138.84 47.36 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.771 -174.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -107.03 108.64 20.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.86 0.362 . . . . 0.0 110.141 172.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.8 t -159.97 110.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.743 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.86 45.68 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.853 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 70.91 142.78 0.05 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.76 -175.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.3 mtt -78.49 64.18 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.025 0.44 . . . . 0.0 110.91 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -137.27 97.69 3.54 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -120.01 150.54 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.956 -177.641 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -141.09 38.87 1.77 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.807 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.11 148.62 92.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.656 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.84 151.56 80.19 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.391 2.061 . . . . 0.0 111.887 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.77 126.27 26.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.136 0.493 . . . . 0.0 110.842 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -83.4 146.67 28.32 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.403 -174.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 47.4 t -106.89 139.29 28.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.878 177.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.0 t -88.22 125.41 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.392 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.1 m -111.89 143.07 22.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.281 0.562 . . . . 0.0 111.314 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 m -96.97 17.46 16.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.257 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.4 m -147.2 142.01 26.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.416 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -64.07 -34.65 78.5 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.73 0.3 . . . . 0.0 111.196 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -102.14 134.55 45.21 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.34 153.98 33.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.601 -175.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 43' ' ' VAL . . . -109.65 100.53 9.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.46 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.9 t -88.83 151.75 22.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.676 -178.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -159.06 72.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.41 0.624 . . . . 0.0 109.805 -174.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.09 -146.96 18.43 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.436 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.33 -167.59 40.33 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.312 -0.471 . . . . 0.0 112.106 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -78.33 161.43 27.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.992 0.425 . . . . 0.0 111.055 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.85 -135.21 15.74 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.471 176.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.78 13.79 33.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.939 0.399 . . . . 0.0 110.853 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' A' ' 59' ' ' CYS . 0.6 OUTLIER -91.61 120.42 32.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.906 -177.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -146.05 135.49 5.89 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.374 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 27.0 p80 -149.93 153.81 36.3 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 40' ' ' HIS . 21.6 Cg_exo -66.94 161.24 43.34 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.904 2.403 . . . . 0.0 112.485 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 42' ' ' ARG . 41.2 ttp180 -51.0 120.22 4.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.086 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 44' ' ' TRP . 11.3 p -122.86 163.7 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.297 0.57 . . . . 0.0 110.244 176.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.468 ' N ' HG22 ' A' ' 43' ' ' VAL . 96.0 m95 -113.68 115.62 28.14 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.444 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.9 mt -112.68 164.09 13.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -140.13 128.15 22.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.321 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 68.4 mt -85.23 126.47 67.25 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.115 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 16.3 Cg_exo -68.86 143.91 57.02 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.884 2.389 . . . . 0.0 112.182 176.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -70.36 -35.72 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.642 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.4 pm0 -71.42 -22.24 61.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.637 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.0 p -96.67 -57.53 2.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 111.133 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.55 -8.59 66.43 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.49 ' HB3' HG12 ' A' ' 64' ' ' ILE . 47.5 p90 -142.56 164.91 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.53 137.87 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.155 0.503 . . . . 0.0 111.337 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.85 120.39 34.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.057 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.3 t -67.35 102.71 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.849 0.356 . . . . 0.0 110.5 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.99 44.69 3.05 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -152.89 -49.26 0.1 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.537 ' HA ' HD11 ' A' ' 38' ' ' LEU . 36.6 t -94.93 -89.19 0.24 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.109 177.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 59' ' ' CYS . 38.7 t70 172.49 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -51.9 144.63 11.23 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.451 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -104.62 142.16 35.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.469 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 91.4 m-85 -125.18 144.16 50.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.736 0.303 . . . . 0.0 110.646 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.49 HG12 ' HB3' ' A' ' 53' ' ' PHE . 70.5 mt -129.56 136.89 58.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.351 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -71.02 145.69 49.81 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 110.248 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -52.4 -33.34 43.1 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -176.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.1 t -64.8 -36.31 83.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.152 0.501 . . . . 0.0 110.544 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -81.96 -14.83 55.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.177 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.29 -39.19 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.578 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.36 -36.54 68.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.719 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 65.95 102.96 0.04 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.655 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -108.77 136.31 48.56 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.964 172.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt -73.15 135.97 44.74 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.819 0.342 . . . . 0.0 110.266 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -83.59 147.23 27.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.661 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -168.54 141.73 3.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.8 168.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -72.05 108.42 5.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.94 -172.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -78.86 87.94 4.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.099 0.476 . . . . 0.0 110.035 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.431 ' C ' ' H ' ' A' ' 80' ' ' HIS . 30.4 t-80 -169.03 140.84 2.53 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -77.05 37.16 0.19 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.261 0.553 . . . . 0.0 110.917 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.431 ' H ' ' C ' ' A' ' 78' ' ' HIS . 54.4 t-80 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.728 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptp . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 2' ' ' ARG . 35.9 mtm180 62.12 -163.8 0.26 Allowed 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.423 0.452 . . . . 0.0 110.988 -174.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -126.3 150.08 48.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.025 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -139.65 92.09 10.34 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.199 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -82.03 159.35 18.18 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.474 2.116 . . . . 0.0 111.765 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -86.29 95.24 9.56 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 p -85.58 85.83 7.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.72 -174.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -99.54 93.11 5.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 172.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.9 137.93 58.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.371 -173.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -76.87 87.12 3.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.448 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.8 t -90.29 -160.84 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.97 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.19 134.75 55.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.634 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -83.99 -41.85 16.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.091 -174.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.9 ttp -165.21 97.81 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.69 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 m -85.57 137.53 32.8 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.017 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.91 161.16 15.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 174.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 60.98 88.36 0.08 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.565 0.541 . . . . 0.0 110.101 -172.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.25 77.09 0.29 Allowed Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.291 -173.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -84.42 -172.76 1.34 Allowed 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.988 2.459 . . . . 0.0 113.086 -175.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.8 ' HB2' ' HB3' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -116.99 18.46 14.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 122.17 0.986 . . . . 0.0 109.373 179.038 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -87.87 46.04 1.34 Allowed 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.175 -1.375 . . . . 0.0 111.003 -171.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.5 t -90.85 98.89 8.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.087 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 47.7 t -79.61 127.11 39.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.111 -174.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.403 HG21 HD11 ' A' ' 47' ' ' ILE . 20.4 m -117.11 148.22 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.739 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 t -101.06 -11.87 19.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.391 0.615 . . . . 0.0 109.63 178.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.21 153.32 23.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.914 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.487 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 94.5 m95 -91.53 -26.96 18.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.338 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -95.62 102.31 14.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 30' ' ' ALA . 4.8 t -108.13 163.07 5.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.956 -172.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.406 ' N ' HG12 ' A' ' 29' ' ' VAL . . . -112.01 129.27 56.25 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.27 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 21.9 t -96.48 147.25 24.04 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -160.54 71.52 0.44 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.518 0.675 . . . . 0.0 110.409 -172.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.62 -135.9 13.48 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.936 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.37 -139.51 5.29 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 121.197 -0.525 . . . . 0.0 111.836 -177.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -98.11 153.37 18.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.014 0.435 . . . . 0.0 111.258 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.86 -125.33 30.29 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.844 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.4 16.57 24.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.855 0.359 . . . . 0.0 111.373 -176.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.14 105.24 17.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.254 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.58 150.2 21.73 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.525 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -160.37 154.29 19.38 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.67 154.25 50.21 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.565 2.177 . . . . 0.0 112.154 177.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 5.2 tmm_? -57.87 131.7 51.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.249 -176.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -130.24 160.91 40.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.03 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -97.63 133.84 41.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.858 0.361 . . . . 0.0 111.414 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -120.92 171.63 8.5 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.143 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.6 t -139.09 126.34 21.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.962 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.72 HG12 ' HB ' ' A' ' 54' ' ' VAL . 56.4 mt -84.74 125.1 71.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.738 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 24.6 Cg_exo -63.81 132.72 36.03 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 122.883 2.388 . . . . 0.0 110.935 173.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.487 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 24.5 m-70 -81.42 -13.72 57.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -165.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -91.81 -27.87 17.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 110.757 -177.708 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 53' ' ' PHE . 2.3 p -91.68 -44.45 9.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.467 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.11 3.06 63.85 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.168 176.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CE2' ' HB ' ' A' ' 51' ' ' THR . 52.7 p90 -138.2 154.43 49.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.72 ' HB ' HG12 ' A' ' 47' ' ' ILE . 7.3 p -116.37 124.32 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.0 110.821 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -92.41 114.06 26.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.03 176.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.4 t -69.01 145.23 53.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.572 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.05 19.2 23.16 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 176.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -129.19 -22.37 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.716 -0.242 . . . . 0.0 111.123 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.6 t -162.1 175.17 12.02 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.426 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -87.17 45.04 1.23 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.928 0.87 . . . . 0.0 109.924 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.674 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 3.9 mmp_? -106.1 115.53 30.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.726 176.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.8 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 42.1 ttm180 -114.83 130.46 56.88 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.094 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -115.62 140.5 49.12 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 42.6 mm -116.36 127.73 73.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.036 -176.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -68.55 145.49 53.94 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -53.02 -32.65 47.81 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.9 t -70.99 -32.74 69.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 -178.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.441 ' HD2' HG23 ' A' ' 64' ' ' ILE . 55.5 t80 -88.93 -17.15 30.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.404 0.621 . . . . 0.0 109.771 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.94 -48.45 30.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.635 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.53 39.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.205 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.16 -80.87 0.45 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.353 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -90.97 -54.83 3.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.264 -173.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.7 mt -100.9 167.57 10.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.487 0.184 . . . . 0.0 110.677 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 75' ' ' HIS . 36.8 mm-40 -102.4 -56.03 2.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 54.5 m80 65.52 14.45 9.49 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.584 0.707 . . . . 0.0 109.425 -168.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -110.72 139.99 45.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.256 -175.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -62.7 145.53 54.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.022 0.439 . . . . 0.0 111.236 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -123.86 124.82 43.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.004 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -106.07 127.87 53.47 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.862 -0.59 . . . . 0.0 110.376 179.736 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 tpp . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -117.58 159.92 22.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.411 ' HD3' HH11 ' A' ' 3' ' ' ARG . 0.3 OUTLIER -114.17 101.7 9.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.997 0.427 . . . . 0.0 110.334 176.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -75.69 134.48 72.37 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.032 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.53 129.58 30.12 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.931 2.421 . . . . 0.0 111.95 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.832 ' HE2' ' HA ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -79.81 91.04 5.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.066 0.46 . . . . 0.0 110.126 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.1 p -69.38 139.88 54.18 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.861 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.492 ' HD2' ' O ' ' A' ' 8' ' ' ARG . 1.6 ppt_? -140.83 101.1 3.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.323 0.582 . . . . 0.0 111.001 177.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -134.19 -158.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.437 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 71.67 27.13 2.98 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.746 0.654 . . . . 0.0 111.177 174.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.7 t -119.48 105.75 11.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.426 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.15 140.9 17.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.129 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HB3' HD11 ' A' ' 16' ' ' ILE . 6.7 mpt_? -109.77 110.47 21.48 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 174.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -86.46 128.14 34.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.003 -174.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 m 61.99 93.46 0.05 OUTLIER 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.046 -0.979 . . . . 0.0 113.248 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.445 HD11 ' HB3' ' A' ' 13' ' ' ARG . 3.1 mt -125.7 164.33 25.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 173.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -96.55 110.08 22.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.983 0.421 . . . . 0.0 110.199 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -92.75 118.42 67.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.743 -177.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 18.2 Cg_exo -66.94 121.43 8.62 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.887 2.391 . . . . 0.0 111.933 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -77.9 148.85 34.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.544 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -97.96 140.55 32.14 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 120.762 0.315 . . . . 0.0 110.399 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.41 ' HB ' ' CD1' ' A' ' 63' ' ' TYR . 56.6 t -130.5 125.17 58.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 110.804 -175.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.1 t -92.05 131.92 37.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.984 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG21 HD11 ' A' ' 47' ' ' ILE . 15.4 m -117.41 146.03 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.439 0.637 . . . . 0.0 111.458 -177.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.8 t -105.49 -0.58 25.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.914 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.7 p -108.85 131.37 55.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.538 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -66.02 -22.99 66.48 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-O 121.061 0.458 . . . . 0.0 110.532 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -108.01 124.41 50.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.516 HG21 HG11 ' A' ' 54' ' ' VAL . 13.7 m -111.02 127.07 68.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.04 0.448 . . . . 0.0 110.94 -175.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.432 ' HB1' ' HD2' ' A' ' 42' ' ' ARG . . . -94.57 99.99 12.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.63 177.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.8 t -86.69 127.0 34.93 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.383 0.611 . . . . 0.0 109.973 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -120.82 5.01 10.5 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.163 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.592 ' HA3' ' CA ' ' A' ' 39' ' ' GLY . . . 91.53 -58.43 3.02 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.485 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.47 -129.44 1.81 Allowed Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -77.71 177.48 8.09 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.45 125.76 39.03 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.991 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 67.88 9.72 7.32 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.159 0.584 . . . . 0.0 111.654 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.77 34.45 5.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.592 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -160.92 -145.82 4.42 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.999 -177.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 59' ' ' CYS . 23.7 p80 -148.34 170.41 7.71 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -175.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.486 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 72.1 Cg_exo -50.64 134.06 39.53 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.222 1.948 . . . . 0.0 110.926 171.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.434 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 49.4 ttp180 -65.15 129.5 39.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.143 0.497 . . . . 0.0 111.493 -171.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.9 t -119.98 150.35 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.449 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -109.5 108.44 18.92 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.916 0.388 . . . . 0.0 110.708 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HB2' HG23 ' A' ' 29' ' ' VAL . 71.8 mt -106.68 170.25 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.61 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.6 t -132.85 140.9 48.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.953 0.406 . . . . 0.0 110.245 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.464 HD11 HG21 ' A' ' 24' ' ' VAL . 64.3 mt -82.46 128.25 67.66 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.98 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 25.6 Cg_exo -62.58 142.99 92.01 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.521 2.148 . . . . 0.0 110.664 174.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -90.37 -0.59 57.71 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 -164.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -108.19 -28.85 9.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.31 0.576 . . . . 0.0 110.337 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 48' ' ' PRO . 6.7 p -86.37 -52.44 5.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.093 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.44 11.9 60.36 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.811 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -146.45 154.28 41.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.546 -0.384 . . . . 0.0 110.692 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.516 HG11 HG21 ' A' ' 29' ' ' VAL . 7.2 p -129.7 130.56 66.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.394 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -106.57 92.68 4.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.109 0.481 . . . . 0.0 110.276 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.47 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 15.2 m -67.07 106.8 2.07 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.426 178.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.72 -4.1 90.3 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.787 -0.721 . . . . 0.0 113.138 -175.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.33 -40.81 77.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.052 0.453 . . . . 0.0 110.636 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 11.6 t -124.21 -9.19 7.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.539 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 73.73 69.95 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.138 -174.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.47 ' HB2' ' HB2' ' A' ' 56' ' ' CYS . 40.3 mmt180 -125.59 120.13 29.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.581 -178.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -105.46 105.07 14.94 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.41 ' CD1' ' HB ' ' A' ' 22' ' ' VAL . 23.6 m-85 -101.19 134.1 44.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.41 -178.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.466 HG23 ' HD2' ' A' ' 68' ' ' PHE . 50.8 mm -101.33 126.41 55.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.563 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -71.47 146.63 48.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.626 ' HB2' HD22 ' A' ' 73' ' ' LEU . 16.9 pt-20 -52.51 -38.04 58.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.165 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.3 t -70.1 -31.76 69.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.873 0.368 . . . . 0.0 110.67 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.466 ' HD2' HG23 ' A' ' 64' ' ' ILE . 34.2 t80 -82.39 -17.8 44.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.009 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.23 -35.55 28.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.608 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 64.71 21.86 12.47 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.819 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.41 -175.1 4.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.528 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -68.45 119.79 13.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.197 0.522 . . . . 0.0 110.778 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.626 HD22 ' HB2' ' A' ' 66' ' ' GLU . 27.5 mt -99.83 130.92 46.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -49.65 6.35 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.707 -177.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 37.6 m170 49.7 54.68 10.6 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.346 0.593 . . . . 0.0 109.917 -177.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -69.77 148.5 49.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.84 -172.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 77.31 -168.89 0.06 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.076 0.86 . . . . 0.0 110.368 177.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -134.23 162.81 31.14 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -87.76 153.28 21.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.218 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.701 -0.666 . . . . 0.0 109.499 174.141 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.055 0.455 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -163.77 105.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.833 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -98.76 126.62 44.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.971 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -104.0 109.88 63.1 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.707 -178.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.68 99.44 0.85 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.581 2.187 . . . . 0.0 110.805 174.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -87.89 108.64 19.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.259 -174.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -87.23 93.03 9.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.889 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 8' ' ' ARG . 45.4 ttp180 -91.17 -22.29 20.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.999 -178.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 9' ' ' GLN . 0.3 OUTLIER -115.03 96.06 5.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.674 -178.51 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -87.75 114.75 24.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.5 t -159.93 143.42 14.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.015 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.87 124.38 30.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.126 0.266 . . . . 0.0 110.332 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -104.02 109.97 21.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.866 0.365 . . . . 0.0 110.103 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.4 ttt -126.7 75.98 1.6 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.22 0.533 . . . . 0.0 109.852 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.4 t -86.94 95.65 9.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.519 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 mt -140.57 158.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.866 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -161.73 84.78 0.61 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.46 98.99 8.82 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.351 -173.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -77.68 147.39 24.78 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 122.493 2.128 . . . . 0.0 110.573 173.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.31 96.24 0.34 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.627 HG21 HG12 ' A' ' 64' ' ' ILE . 9.7 m -104.99 149.84 25.43 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.272 -173.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.3 t -84.84 121.15 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 120.861 0.362 . . . . 0.0 110.437 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.49 125.08 42.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.921 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.9 m -123.71 156.11 30.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 121.282 0.563 . . . . 0.0 111.293 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 t -115.17 -3.92 12.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.182 176.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -94.84 134.0 37.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.446 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.52 ' CZ3' ' HA ' ' A' ' 49' ' ' HIS . 99.0 m95 -78.69 -31.25 46.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 19.2 ptpt -99.17 106.65 18.85 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 170.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.64 151.92 4.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.102 0.477 . . . . 0.0 110.613 -173.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.38 103.25 9.95 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.252 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.3 t -83.9 124.84 31.41 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.18 -20.82 12.54 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.259 -169.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.73 -86.35 1.06 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.815 -175.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.14 -140.04 2.83 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -76.68 -179.55 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.003 0.43 . . . . 0.0 111.233 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.83 131.96 51.98 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.634 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 76.19 -28.64 0.18 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.678 0.791 . . . . 0.0 111.873 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.26 -28.06 29.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.228 0.537 . . . . 0.0 110.106 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -103.75 154.55 17.85 Favored Glycine 0 N--CA 1.441 -0.991 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.469 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.429 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 16.2 p80 -83.28 169.61 16.99 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 53.1 Cg_exo -53.53 143.55 55.45 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.248 1.966 . . . . 0.0 111.194 172.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -64.44 115.09 4.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.568 0.223 . . . . 0.0 110.723 -174.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.4 t -109.13 156.07 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -109.95 129.59 55.64 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.153 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -112.29 159.9 18.18 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.916 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.5 t -125.2 112.58 16.6 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.815 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 51.9 mt -84.53 124.13 73.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.438 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 23.5 Cg_exo -64.81 136.06 47.46 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.76 2.307 . . . . 0.0 111.353 176.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.52 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 20.4 m-70 -74.37 -16.04 60.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.26 -171.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.48 6.43 42.38 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.687 -178.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 p -122.14 -65.16 1.14 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.631 0.253 . . . . 0.0 110.644 175.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.09 23.03 23.66 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.856 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -152.9 153.71 33.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.778 -0.248 . . . . 0.0 110.416 178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.79 145.18 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.958 0.409 . . . . 0.0 110.479 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.62 138.46 40.93 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.74 122.94 18.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.074 0.464 . . . . 0.0 110.854 -176.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.73 43.01 3.1 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.753 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -162.81 -49.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.1 t -108.29 166.55 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.913 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -80.26 -2.25 44.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.13 0.49 . . . . 0.0 111.282 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -80.79 153.21 27.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.372 0.606 . . . . 0.0 111.929 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -126.4 150.35 48.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.938 -173.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -126.71 132.39 51.15 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.992 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.627 HG12 HG21 ' A' ' 21' ' ' THR . 45.6 mm -125.21 130.04 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.859 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -69.58 145.53 52.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.38 -30.9 42.27 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.6 t -72.89 -23.09 60.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.709 0.29 . . . . 0.0 111.12 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -93.47 -12.38 29.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.097 0.475 . . . . 0.0 110.317 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.64 -8.87 51.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.979 -176.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.83 -26.76 66.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.026 0.441 . . . . 0.0 110.979 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.74 9.85 15.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 -177.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -90.09 -13.9 34.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.091 0.472 . . . . 0.0 110.154 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.6 mt -94.96 165.55 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.794 -176.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -84.33 5.42 27.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.43 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -78.78 110.16 13.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.781 0.325 . . . . 0.0 111.622 -173.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -151.3 106.87 3.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.23 0.538 . . . . 0.0 109.673 172.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -140.41 131.26 25.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.249 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 52.3 m-70 -128.9 -174.05 3.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.948 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 78' ' ' HIS . 8.3 m-70 74.41 -0.05 3.45 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.06 0.544 . . . . 0.0 112.015 175.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.503 -0.761 . . . . 0.0 109.599 175.733 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.705 0.288 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.7 ttm105 -154.53 106.58 2.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.142 0.496 . . . . 0.0 111.302 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 3' ' ' ARG . 14.2 ttm180 -116.33 147.04 41.96 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 170.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 47.8 mt-30 -60.21 112.79 6.0 Favored Pre-proline 0 C--O 1.234 0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.765 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 4' ' ' GLN . 5.9 Cg_endo -85.7 155.01 10.29 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.189 2.593 . . . . 0.0 112.163 -176.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -95.99 2.5 53.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.956 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.1 m 61.61 30.58 18.67 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.599 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -125.04 84.95 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.987 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -103.24 2.49 34.36 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -77.65 141.05 39.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.218 -1.356 . . . . 0.0 109.259 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.9 t -75.11 85.86 2.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.753 0.311 . . . . 0.0 110.225 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 58.22 -157.67 0.3 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.56 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -100.56 169.13 9.27 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 174.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -76.17 137.66 40.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.716 0.294 . . . . 0.0 110.312 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.9 m -103.95 101.14 10.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.761 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.666 ' H ' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -97.05 158.04 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 175.255 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 57.58 -163.7 0.18 Allowed 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.451 0.469 . . . . 0.0 111.506 -177.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.485 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . . . -137.01 98.07 10.64 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.62 175.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.485 ' HD2' ' HA ' ' A' ' 18' ' ' ALA . 9.5 Cg_endo -52.48 133.53 49.31 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.186 2.591 . . . . 0.0 111.93 -178.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -90.23 104.83 17.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.688 0.756 . . . . 0.0 111.061 -175.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -99.48 118.59 36.42 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.376 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.419 ' HB ' ' HD1' ' A' ' 63' ' ' TYR . 47.0 t -94.73 128.73 45.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.277 -173.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -85.34 124.93 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.03 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.2 m -123.9 157.74 30.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.896 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -108.87 -8.83 15.21 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.279 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 m -106.87 141.65 37.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.205 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -82.76 -47.02 12.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.999 0.428 . . . . 0.0 109.987 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -90.56 100.04 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.8 m -108.01 146.11 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.758 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.08 102.55 15.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.398 174.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.8 t -71.06 156.34 39.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.544 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -174.16 89.84 0.07 Allowed 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -166.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.578 ' HA3' ' HA3' ' A' ' 39' ' ' GLY . . . -38.3 -42.58 1.3 Allowed Glycine 0 N--CA 1.464 0.566 0 CA-C-N 114.276 -1.329 . . . . 0.0 115.694 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.92 -169.03 42.19 Favored Glycine 0 C--N 1.316 -0.545 0 C-N-CA 120.124 -1.036 . . . . 0.0 113.145 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -80.31 147.57 31.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.959 0.409 . . . . 0.0 110.877 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.73 -123.18 21.78 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.581 -0.736 . . . . 0.0 113.197 175.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.48 21.4 16.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.122 0.487 . . . . 0.0 111.039 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.8 mt -97.44 131.16 44.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.988 177.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.578 ' HA3' ' HA3' ' A' ' 33' ' ' GLY . . . 98.39 -128.01 9.42 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.282 178.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -147.74 163.0 29.56 Favored Pre-proline 0 C--N 1.313 -0.981 0 CA-C-N 115.022 -0.589 . . . . 0.0 110.081 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.53 158.17 13.56 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.792 2.328 . . . . 0.0 112.209 175.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -72.27 124.72 25.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.292 0.568 . . . . 0.0 111.331 -174.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.8 t -123.73 160.85 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.343 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -106.45 125.28 50.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.712 0.291 . . . . 0.0 110.718 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.5 mt -115.28 167.64 10.67 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.5 m -143.36 113.2 7.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.927 0.394 . . . . 0.0 110.377 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.452 HG12 ' CG1' ' A' ' 54' ' ' VAL . 49.2 mt -77.9 126.83 83.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.627 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -62.3 134.88 50.9 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.686 2.257 . . . . 0.0 111.689 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -75.8 -18.02 59.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.109 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -84.99 -17.85 36.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.312 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 p -99.81 -55.47 2.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.762 0.315 . . . . 0.0 111.108 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.45 -5.26 60.48 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 121.121 -0.562 . . . . 0.0 111.949 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -149.47 162.73 39.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.452 ' CG1' HG12 ' A' ' 47' ' ' ILE . 12.0 p -148.59 143.58 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.836 0.35 . . . . 0.0 110.479 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.74 132.88 42.97 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 48.5 t -76.95 135.05 38.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.836 0.35 . . . . 0.0 110.352 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.44 38.69 3.0 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.776 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -154.81 -56.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.8 t -99.43 166.89 10.96 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -91.78 -7.09 50.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.204 0.526 . . . . 0.0 110.628 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.59 125.61 25.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.95 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -100.65 139.91 35.67 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.419 ' HD1' ' HB ' ' A' ' 22' ' ' VAL . 19.9 m-85 -111.27 131.58 55.03 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.725 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.672 HD11 ' HD2' ' A' ' 68' ' ' PHE . 14.3 tt -134.26 139.94 47.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.941 177.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -75.89 140.72 42.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -58.53 -29.72 66.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -174.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.8 p -69.68 -25.4 63.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 110.818 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.672 ' HD2' HD11 ' A' ' 64' ' ' ILE . 38.1 t80 -75.29 -22.81 57.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.042 0.449 . . . . 0.0 110.468 -176.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -104.01 5.11 35.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.06 10.41 38.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.097 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.69 106.73 18.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -156.37 149.05 23.77 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.6 mt -88.39 173.6 8.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.037 0.446 . . . . 0.0 111.398 -176.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -87.8 -73.87 0.47 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.476 0.655 . . . . 0.0 109.401 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -140.73 149.89 42.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.37 175.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -132.86 102.86 5.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.352 0.596 . . . . 0.0 111.475 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -104.1 142.93 33.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.607 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -140.85 3.63 1.85 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.227 0.536 . . . . 0.0 109.962 175.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -138.51 127.63 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.397 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.3 m80 . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.415 -0.802 . . . . 0.0 110.41 -179.435 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.67 100.88 8.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 0.0 110.654 176.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -159.61 118.16 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.432 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -151.3 101.91 2.96 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.241 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -90.61 152.95 4.27 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.036 2.49 . . . . 0.0 114.042 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 35.2 ttpt -115.13 9.96 16.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.966 174.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 p -80.25 85.73 5.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.608 -173.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -131.16 111.74 12.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.401 170.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -112.66 116.58 30.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.353 0.597 . . . . 0.0 110.879 -178.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -89.57 26.79 1.63 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.679 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 t -140.36 115.93 10.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.298 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.82 -39.67 26.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.943 0.401 . . . . 0.0 110.913 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -102.52 91.94 4.45 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.202 0.525 . . . . 0.0 110.502 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.9 ttt -159.24 -40.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.095 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 t -112.79 140.27 47.71 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.827 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.536 HG22 ' H ' ' A' ' 17' ' ' GLU . 3.2 mt -109.68 175.33 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -177.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' H ' HG22 ' A' ' 16' ' ' ILE . 12.5 mm-40 -55.91 132.51 49.9 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 123.201 0.313 . . . . 0.0 110.299 176.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.95 120.29 18.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 O-C-N 123.64 0.588 . . . . 0.0 111.464 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -83.72 -179.89 4.42 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.69 2.26 . . . . 0.0 112.979 -177.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.579 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -99.29 20.0 14.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.754 0.787 . . . . 0.0 110.718 -178.627 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 m -108.3 133.18 52.87 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 114.062 -1.426 . . . . 0.0 110.235 -175.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.592 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 45.0 t -124.17 141.71 43.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.199 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.6 t -89.69 127.73 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.361 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.457 HG21 HD11 ' A' ' 47' ' ' ILE . 25.3 m -110.18 145.32 16.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.636 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.8 t -106.95 -8.69 16.52 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.381 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.5 p -119.74 153.55 35.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.172 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -79.25 -10.38 59.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.239 0.543 . . . . 0.0 111.279 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -134.78 130.08 35.57 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.42 178.67 5.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.327 0.584 . . . . 0.0 111.672 -169.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.11 118.81 26.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.19 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 42.4 t -83.62 133.34 34.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -116.61 3.29 13.11 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.155 -170.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.44 156.16 6.72 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.399 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -111.73 170.61 13.76 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.148 -0.548 . . . . 0.0 111.786 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.579 ' HG3' ' HB3' ' A' ' 20' ' ' GLU . 64.2 mm-40 -64.39 155.56 32.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.009 0.433 . . . . 0.0 111.316 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.5 -131.67 24.43 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.655 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.92 9.99 37.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.022 0.439 . . . . 0.0 110.746 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.5 mt -89.73 31.82 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.17 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.04 149.93 33.32 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.741 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.0 p80 -157.85 163.6 24.13 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -177.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.67 151.62 84.23 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.473 2.115 . . . . 0.0 111.23 172.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 21.9 ttm180 -59.56 125.01 21.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.005 0.431 . . . . 0.0 111.848 -174.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.3 t -120.46 157.95 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.501 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -100.21 128.55 46.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.387 0.275 . . . . 0.0 110.55 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -122.5 164.09 18.73 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.821 0.343 . . . . 0.0 111.001 -177.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.3 t -129.67 122.79 29.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.478 HG12 ' HB ' ' A' ' 54' ' ' VAL . 65.7 mt -75.35 123.03 88.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.278 -175.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 38.5 Cg_exo -60.22 117.41 4.16 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.899 2.399 . . . . 0.0 111.937 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -75.12 -0.58 19.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.2 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.1 -37.51 78.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.232 0.539 . . . . 0.0 110.555 176.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.9 p -119.06 -42.15 2.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.575 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.39 6.7 44.2 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.246 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -124.59 147.59 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.559 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 6.8 p -113.22 116.84 53.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.552 0.692 . . . . 0.0 110.723 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -96.23 116.21 28.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.084 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 36.1 t -79.93 138.51 37.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.797 0.332 . . . . 0.0 110.825 -177.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -101.59 -6.2 50.48 Favored Glycine 0 N--CA 1.451 -0.32 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.89 -39.01 17.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.9 0.381 . . . . 0.0 110.881 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.7 p -148.55 -178.92 6.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.418 -175.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -84.01 42.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.289 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.493 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 20.6 mmt180 -100.95 130.51 46.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.298 -178.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -128.22 120.52 27.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.842 172.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.592 ' CD2' ' HB ' ' A' ' 22' ' ' VAL . 91.5 m-85 -110.58 134.1 52.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.973 0.416 . . . . 0.0 110.926 -176.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.7 mm -109.77 124.94 66.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.559 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -72.49 138.23 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -53.9 -30.5 46.39 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 123.413 0.446 . . . . 0.0 112.182 -177.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.9 t -69.73 -25.79 64.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.372 . . . . 0.0 110.795 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -104.35 -3.43 24.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.297 0.57 . . . . 0.0 110.102 179.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.86 -18.91 31.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.62 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 60.1 60.11 2.19 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.068 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.64 79.67 2.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.604 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -71.6 -41.67 68.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.0 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.58 178.35 5.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.775 -176.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 68.3 98.62 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.995 0.809 . . . . 0.0 110.334 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -134.99 108.7 8.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.02 -176.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 69.87 -175.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.038 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 36.6 m170 66.3 -177.59 0.19 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.781 -174.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -96.43 107.86 20.32 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 168.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -64.28 -16.24 61.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.385 -172.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.4 m170 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.392 175.385 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.6 tpp . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.516 0.198 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -75.96 -45.79 33.08 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -87.37 72.49 9.76 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -143.01 86.99 8.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.818 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -92.18 145.54 2.87 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 123.08 2.52 . . . . 0.0 112.711 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -92.6 132.3 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.5 m -124.08 114.04 19.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.02 0.438 . . . . 0.0 110.706 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -94.94 116.17 28.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.486 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -72.97 139.66 46.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.191 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -92.73 23.79 3.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.953 0.406 . . . . 0.0 111.366 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 m -81.36 79.84 7.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.521 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.45 -33.56 67.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.654 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 13' ' ' ARG . 10.6 ttm180 -152.51 122.82 7.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.208 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.6 tpt -155.36 21.6 0.42 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.901 0.858 . . . . 0.0 109.204 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 m -127.45 164.78 21.14 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.021 -173.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 17' ' ' GLU . 1.4 mp -130.04 171.29 17.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.53 ' H ' HG22 ' A' ' 16' ' ' ILE . 16.5 mm-40 67.88 -163.79 0.21 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 122.607 0.363 . . . . 0.0 110.623 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -128.54 142.43 44.78 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.597 -179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 16.5 Cg_exo -68.4 113.74 3.22 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.779 2.319 . . . . 0.0 111.834 177.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -71.7 110.2 6.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.066 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -96.18 127.04 41.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.408 -176.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -116.03 134.16 60.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.513 -177.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.3 t -103.43 126.04 57.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.322 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 65' ' ' HIS . 15.7 m -136.5 158.2 37.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.048 0.451 . . . . 0.0 111.364 -175.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.9 t -104.24 -20.54 13.75 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 28' ' ' LYS . 8.2 m -72.65 132.88 44.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.151 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' A' ' 46' ' ' SER . 99.9 m95 -82.98 -12.3 57.4 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.774 0.286 . . . . 0.0 111.774 -175.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' H ' HG22 ' A' ' 26' ' ' THR . 90.6 mttt -132.56 124.12 27.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.8 0.333 . . . . 0.0 110.807 176.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.51 157.3 32.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.051 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.23 109.96 22.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 22.4 t -95.18 125.15 39.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.31 0.576 . . . . 0.0 109.693 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -138.3 20.73 2.77 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.553 -173.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.49 ' HA3' ' HA3' ' A' ' 39' ' ' GLY . . . 87.39 -110.88 3.62 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.931 -175.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -109.69 -109.29 3.22 Favored Glycine 0 CA--C 1.501 -0.813 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.98 176.52 2.06 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.999 -0.601 . . . . 0.0 109.916 171.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.55 115.55 4.94 Favored Glycine 0 N--CA 1.454 -0.14 0 C-N-CA 121.265 -0.493 . . . . 0.0 113.058 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 66.21 19.89 11.09 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.467 0.707 . . . . 0.0 111.837 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -101.42 74.81 1.56 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.49 ' HA3' ' HA3' ' A' ' 33' ' ' GLY . . . 155.2 -138.34 6.05 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.518 -177.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -89.57 162.82 35.35 Favored Pre-proline 0 C--N 1.318 -0.775 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' O ' HG23 ' A' ' 43' ' ' VAL . 64.7 Cg_exo -52.58 138.1 58.08 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.501 2.134 . . . . 0.0 111.948 175.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.498 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 23.8 ttp180 -57.94 119.71 7.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.359 0.6 . . . . 0.0 112.378 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 41' ' ' PRO . 12.2 t -125.7 157.96 34.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.29 177.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -107.93 109.83 21.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.842 0.353 . . . . 0.0 110.311 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.1 162.3 13.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.536 -176.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 6.7 t -125.6 146.47 49.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.191 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.552 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 56.5 mt -80.73 120.86 80.25 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.538 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.36 124.7 15.7 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.656 2.237 . . . . 0.0 111.43 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -76.66 -6.74 53.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.685 -175.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.457 ' HG3' HG23 ' A' ' 51' ' ' THR . 13.8 pt-20 -83.52 -25.1 31.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.823 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.515 ' HB ' ' CE1' ' A' ' 53' ' ' PHE . 7.9 p -111.21 -50.0 2.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.508 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.87 6.61 42.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.811 -176.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.515 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 42.9 p90 -153.11 155.55 36.98 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.552 ' HB ' ' HA ' ' A' ' 47' ' ' ILE . 5.7 p -125.8 122.11 61.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.357 0.598 . . . . 0.0 111.35 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.31 122.9 38.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.891 172.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 51.9 t -63.85 134.1 54.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.885 0.374 . . . . 0.0 110.416 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.21 -1.69 88.31 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.608 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -104.67 -32.49 8.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.804 0.335 . . . . 0.0 111.09 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 48.5 t -155.65 168.01 28.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -78.98 39.57 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.938 0.875 . . . . 0.0 111.07 -176.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HD3' ' HA ' ' A' ' 61' ' ' ARG . 20.0 mmt180 -78.85 112.29 15.85 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 170.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -119.51 113.21 20.4 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.29 -170.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -103.91 131.81 50.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.814 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.501 HD13 ' HB2' ' A' ' 53' ' ' PHE . 15.8 mm -113.46 137.83 45.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.834 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 50.5 t-80 -74.12 145.42 44.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 67' ' ' SER . 13.8 pt-20 -52.03 -39.34 59.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.232 -177.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 16.4 t -80.26 -16.98 53.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.601 0.239 . . . . 0.0 111.233 -173.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -90.77 -22.7 20.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 109.758 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.17 -54.44 5.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.253 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -131.54 -73.85 0.53 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.299 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -173.12 148.19 1.67 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.264 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 67' ' ' SER . 72.9 tttt -86.42 146.46 26.42 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 173.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 73' ' ' LEU . 5.6 mp -70.6 127.06 31.41 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 174.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 1.7 tm-20 -70.19 127.83 34.16 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.631 -170.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -141.01 19.84 2.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.812 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -129.42 89.06 2.78 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.418 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 26.0 m80 -122.62 145.92 47.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.477 0.656 . . . . 0.0 112.568 -172.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -106.32 -177.92 3.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.81 -1.086 . . . . 0.0 108.382 168.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -141.65 97.95 3.25 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.5 t60 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.597 -0.716 . . . . 0.0 110.066 -178.6 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.6 mtt . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 2' ' ' ARG . 22.4 ttm-85 -72.69 133.69 44.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.815 0.341 . . . . 0.0 110.164 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.15 86.74 2.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.34 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.428 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 35.5 tt0 -104.32 126.58 31.16 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.431 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 4' ' ' GLN . 11.7 Cg_exo -70.26 73.98 1.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.785 2.323 . . . . 0.0 111.157 175.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -67.47 116.38 8.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.898 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 t -160.18 168.32 25.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.91 0.386 . . . . 0.0 110.409 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -137.94 141.27 40.56 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 175.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.42 HE21 ' HB3' ' A' ' 9' ' ' GLN . 1.0 OUTLIER -115.0 114.49 25.48 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -104.67 105.61 15.76 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.0 m -79.52 69.72 5.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.279 0.561 . . . . 0.0 110.803 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.19 158.7 31.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.81 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -106.94 135.82 47.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.252 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.6 ptp -134.51 140.47 46.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.879 0.371 . . . . 0.0 110.727 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.9 m -94.4 109.13 21.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.815 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.759 ' H ' HD12 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -80.77 158.19 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.481 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 1.0 OUTLIER -106.36 161.04 14.92 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.643 -177.372 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.427 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . . . -99.02 119.84 59.88 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.765 -178.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 18' ' ' ALA . 30.7 Cg_endo -65.23 141.59 69.67 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.843 2.362 . . . . 0.0 111.408 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.12 102.64 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.225 0.536 . . . . 0.0 109.725 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -90.08 142.86 27.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.775 -172.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -120.52 128.29 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.796 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.24 122.92 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.215 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.8 m -121.3 154.08 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.224 0.535 . . . . 0.0 111.551 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 m -97.97 -6.89 31.13 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.323 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 m -109.6 129.02 55.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.344 -176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -71.69 -41.84 68.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.904 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -111.66 112.01 23.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.224 0.535 . . . . 0.0 110.054 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.9 m -122.33 155.88 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.53 -172.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.81 116.79 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.97 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.7 t -96.08 138.39 33.77 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -128.85 11.87 6.17 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.583 0.706 . . . . 0.0 110.254 -172.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.16 -73.88 2.4 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.527 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.12 -138.92 3.73 Favored Glycine 0 C--N 1.313 -0.699 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -123.41 146.14 48.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.48 -105.29 2.7 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.819 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.8 78.07 1.61 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 120.96 0.409 . . . . 0.0 110.02 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -157.1 123.22 4.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.356 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.52 -140.2 11.55 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.332 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -110.62 166.53 10.59 Favored Pre-proline 0 C--N 1.314 -0.939 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.453 ' O ' HG23 ' A' ' 43' ' ' VAL . 50.7 Cg_exo -54.74 146.47 55.0 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.174 1.916 . . . . 0.0 111.049 173.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -64.59 115.52 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 41' ' ' PRO . 10.9 t -115.75 156.92 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.045 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -105.79 119.01 38.05 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.877 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -105.0 165.62 10.95 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.663 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.1 t -139.12 113.25 8.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.48 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.5 ' HA ' ' HB ' ' A' ' 54' ' ' VAL . 68.5 mt -75.3 121.18 84.67 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.457 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.44 123.97 14.16 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.413 2.075 . . . . 0.0 111.341 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -71.56 -17.63 62.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.422 -176.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -88.57 -3.87 58.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.003 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.9 m -117.48 -46.03 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.13 -26.34 24.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.406 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -136.83 156.47 48.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 63' ' ' TYR . 14.0 p -111.44 134.37 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.041 0.448 . . . . 0.0 110.548 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -101.65 109.07 20.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 59' ' ' CYS . 42.4 t -76.84 143.46 39.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.136 0.493 . . . . 0.0 111.031 -176.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.37 -16.34 57.34 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.943 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -84.53 -29.95 25.52 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.683 0.278 . . . . 0.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 33.8 t -156.36 160.61 39.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 19' ' ' PRO . 30.5 t70 -86.81 32.42 0.67 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.83 0.824 . . . . 0.0 110.628 -176.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -82.27 118.48 23.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.15 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -91.63 112.3 24.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.655 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' HB2' HG12 ' A' ' 54' ' ' VAL . 93.3 m-85 -103.59 111.57 24.1 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.593 HD11 ' HD2' ' A' ' 68' ' ' PHE . 11.0 tt -113.55 136.5 49.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.806 0.336 . . . . 0.0 110.174 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -76.31 141.73 41.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -60.29 -19.25 54.2 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -175.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.0 t -64.39 -35.67 81.65 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.593 ' HD2' HD11 ' A' ' 64' ' ' ILE . 12.9 t80 -78.79 -19.18 52.8 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.338 0.589 . . . . 0.0 109.696 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.12 -27.06 23.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.68 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -30.07 70.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.08 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.43 68.06 4.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.256 0.551 . . . . 0.0 109.769 174.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -70.79 -52.29 21.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.905 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.5 mt -88.94 125.56 35.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.187 0.518 . . . . 0.0 109.899 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -106.39 -37.96 6.35 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.983 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.3 m80 62.95 -98.43 0.07 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.387 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.4 p80 175.14 154.6 0.15 Allowed 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -87.25 -83.67 0.2 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.26 98.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 111.426 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -73.6 -51.07 18.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 168.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.974 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.064 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtm . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.906 0.384 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -148.97 111.9 4.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 3' ' ' ARG . 53.2 mtt-85 -81.7 43.14 0.74 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.059 0.457 . . . . 0.0 111.345 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -73.85 143.43 81.3 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 175.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -40.66 105.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.218 2.612 . . . . 0.0 112.562 178.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -62.21 139.49 58.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.62 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.9 m -59.2 106.3 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.907 -173.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -98.64 79.36 2.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.249 177.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.69 21.86 16.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.153 -175.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -91.19 101.0 13.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.187 0.518 . . . . 0.0 109.849 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.0 t -103.36 11.11 37.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.16 -174.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.06 134.84 22.36 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.82 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -123.26 108.22 12.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.307 0.575 . . . . 0.0 110.004 175.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.5 mtt -111.27 103.29 11.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.517 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -82.52 80.97 8.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.445 0.64 . . . . 0.0 110.373 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.462 HG22 ' H ' ' A' ' 17' ' ' GLU . 3.8 mt -89.83 166.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.484 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.462 ' H ' HG22 ' A' ' 16' ' ' ILE . 1.9 tp10 -73.73 86.78 1.69 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.526 -177.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 66.26 90.54 0.09 OUTLIER Pre-proline 0 N--CA 1.465 0.314 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.204 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.16 176.75 9.14 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.67 2.247 . . . . 0.0 112.26 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.84 102.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.696 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -119.46 107.41 13.29 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.535 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.2 t -122.11 100.62 8.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.493 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.4 t -93.25 127.41 45.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.232 -177.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 65' ' ' HIS . 17.2 m -137.11 153.6 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.5 m -102.84 7.93 39.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.511 0.672 . . . . 0.0 109.717 173.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.0 m -105.8 135.05 47.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.571 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -88.72 -56.18 3.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.892 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -81.97 112.3 18.94 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 m -122.08 138.04 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-O 121.116 0.484 . . . . 0.0 111.282 -173.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.25 101.0 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.911 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -84.68 142.89 29.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -138.83 24.21 2.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.736 0.779 . . . . 0.0 109.233 -173.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.6 -136.29 14.48 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.768 -176.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.56 -90.65 0.96 Allowed Glycine 0 CA--C 1.502 -0.759 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -79.76 -178.25 6.31 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 114.642 -0.779 . . . . 0.0 109.614 169.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.59 116.16 8.53 Favored Glycine 0 C--O 1.235 0.21 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.886 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 65.12 14.88 9.68 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.487 0.715 . . . . 0.0 111.59 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -95.49 86.73 4.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -178.494 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.35 -59.49 0.62 Allowed Glycine 0 CA--C 1.498 -0.993 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.656 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.5 p80 -166.19 160.38 12.58 Favored Pre-proline 0 C--N 1.301 -1.5 0 CA-C-N 113.957 -1.122 . . . . 0.0 110.094 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.09 171.47 7.55 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.816 2.344 . . . . 0.0 112.204 176.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -66.43 119.31 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.88 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -119.49 152.37 22.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -97.8 112.27 24.24 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.451 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.08 163.29 15.38 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.2 t -140.14 117.71 11.53 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.981 0.42 . . . . 0.0 110.103 178.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.483 HG12 ' CG1' ' A' ' 54' ' ' VAL . 58.5 mt -68.82 122.86 86.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.742 176.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 6.4 Cg_endo -50.44 131.38 32.1 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.721 2.281 . . . . 0.0 111.644 178.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -79.31 6.54 9.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.945 -166.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -124.01 -34.86 2.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.833 -174.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.47 -43.25 12.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.729 0.299 . . . . 0.0 110.911 178.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.543 ' HA3' ' CD2' ' A' ' 68' ' ' PHE . . . 89.3 15.22 59.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.781 172.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -149.27 154.75 39.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.483 ' CG1' HG12 ' A' ' 47' ' ' ILE . 14.5 p -143.85 135.41 22.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.313 0.578 . . . . 0.0 110.726 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -103.89 115.74 31.01 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 46.2 t -58.98 105.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 111.305 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.57 44.62 3.25 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.389 -0.685 . . . . 0.0 111.389 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -149.48 -44.67 0.14 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 50.8 t -102.02 -83.39 0.46 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.391 175.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 59' ' ' CYS . 24.9 t70 169.34 -35.5 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.702 0.626 . . . . 0.0 110.212 -178.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -60.17 144.76 49.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.75 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -103.52 142.14 34.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -121.42 144.28 48.76 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -141.7 147.61 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.937 0.399 . . . . 0.0 111.242 -178.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 44.6 t-80 -77.75 148.53 34.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.109 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -58.27 -32.84 68.78 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -175.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 t -68.84 -31.78 71.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.167 0.508 . . . . 0.0 110.83 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.543 ' CD2' ' HA3' ' A' ' 52' ' ' GLY . 97.0 m-85 -96.5 -7.0 35.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.11 0.481 . . . . 0.0 111.346 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -103.86 -63.9 1.15 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.532 -176.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.25 -61.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -174.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.41 ' C ' ' HD2' ' A' ' 72' ' ' LYS . . . 55.82 -103.0 0.16 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.719 0.637 . . . . 0.0 111.219 -176.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 71' ' ' ALA . 2.2 mptp? -142.1 -79.0 0.24 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.92 0.391 . . . . 0.0 111.624 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.0 mt -126.55 153.23 45.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.17 -173.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.93 -65.92 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 173.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -137.91 164.88 27.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.344 -1.298 . . . . 0.0 108.193 171.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -72.38 103.35 3.41 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -55.65 137.9 48.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.081 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -125.36 117.23 23.27 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.901 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -67.43 130.69 43.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 119.347 -0.359 . . . . 0.0 110.32 176.817 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.524 0.202 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.5 mtm105 -62.35 108.34 1.08 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.208 0.527 . . . . 0.0 110.267 176.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -101.0 166.78 10.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.75 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -90.44 120.32 69.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.811 176.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.93 137.45 34.99 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.119 1.879 . . . . 0.0 111.369 176.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.56 118.5 9.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.958 0.409 . . . . 0.0 110.33 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -74.05 142.0 45.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.315 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -109.26 109.21 20.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.031 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -90.18 73.14 7.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.328 0.585 . . . . 0.0 110.0 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -134.73 121.81 21.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.875 -176.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 t -133.26 21.9 4.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.367 0.603 . . . . 0.0 109.809 175.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.99 107.92 16.64 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.334 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 13' ' ' ARG . 37.8 ttm180 -91.14 143.91 26.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.701 -177.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.5 mmt 58.2 68.37 0.84 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.648 0.593 . . . . 0.0 110.858 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.0 t -116.78 100.9 8.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 17' ' ' GLU . 2.4 mp -99.15 168.83 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -178.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' H ' HG22 ' A' ' 16' ' ' ILE . 28.6 tt0 -160.05 85.1 0.74 Allowed 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.054 -175.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . 70.42 137.32 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.367 0 O-C-N 124.149 0.906 . . . . 0.0 112.798 176.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 14.7 Cg_exo -69.84 171.86 13.77 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.608 2.205 . . . . 0.0 111.593 174.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.42 114.19 1.9 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.278 0.561 . . . . 0.0 112.206 -175.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 t -100.77 125.62 47.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.943 174.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.51 126.01 62.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.919 -175.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.435 ' CG1' ' HA ' ' A' ' 66' ' ' GLU . 47.3 t -88.89 122.14 39.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.451 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 m -128.1 148.23 32.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.473 0.654 . . . . 0.0 111.637 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 p -91.36 -7.92 49.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.137 176.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 m -98.13 137.87 36.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.33 -177.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -81.29 -39.5 25.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.912 0.387 . . . . 0.0 110.425 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -96.0 114.34 26.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.716 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 45' ' ' LEU . 12.0 m -116.69 130.94 70.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.318 0.58 . . . . 0.0 111.164 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.11 104.59 17.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.58 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 t -82.23 139.41 34.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -178.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -127.95 13.69 6.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.477 -173.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.4 -90.49 1.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.678 -0.692 . . . . 0.0 113.21 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -125.61 -153.59 8.49 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.188 -176.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -113.02 173.05 6.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.7 0.286 . . . . 0.0 110.502 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.62 -103.82 1.19 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.517 -0.849 . . . . 0.0 111.438 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -140.43 24.55 2.27 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.155 0.503 . . . . 0.0 109.863 176.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -105.98 150.84 25.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.956 -176.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.32 -146.8 18.88 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.282 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.537 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 25.9 p80 -117.78 163.3 24.87 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.537 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 30.4 Cg_endo -63.03 167.16 12.79 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.504 2.136 . . . . 0.0 112.053 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 ttm105 -56.04 118.69 4.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.685 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 t -119.99 157.15 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -108.81 116.93 32.93 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.066 0.46 . . . . 0.0 111.14 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.525 ' HB2' HG23 ' A' ' 29' ' ' VAL . 89.9 mt -114.83 162.52 16.77 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.0 t -140.0 129.74 24.52 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.5 mt -71.99 114.3 27.82 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.528 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.64 135.37 35.7 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.49 2.127 . . . . 0.0 111.535 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -74.38 0.38 14.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.255 0.55 . . . . 0.0 110.047 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HG3' HG23 ' A' ' 51' ' ' THR . 11.7 pt-20 -97.76 -13.99 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.966 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.465 HG23 ' HG3' ' A' ' 50' ' ' GLU . 32.2 p -120.54 -48.74 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 111.758 -177.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.0 -6.03 53.74 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.648 -0.786 . . . . 0.0 111.995 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -158.03 167.01 31.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.2 p -139.92 138.25 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.941 0.401 . . . . 0.0 110.593 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -106.15 134.47 49.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.713 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.7 t -75.02 146.52 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.352 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -95.98 -17.82 33.85 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.149 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -90.87 -57.77 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.355 0.598 . . . . 0.0 110.427 177.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -103.06 167.96 9.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.58 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.53 6.11 39.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.013 0.435 . . . . 0.0 110.8 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -73.28 148.59 43.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.318 -178.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 62' ' ' ARG . 13.8 ttm180 -122.99 147.1 47.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.169 -175.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -125.95 122.65 36.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.6 mt -122.84 142.99 37.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.383 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.85 143.66 55.66 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.018 0.437 . . . . 0.0 111.045 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.435 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 8.7 pt-20 -48.76 -39.74 26.13 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.222 -0.899 . . . . 0.0 113.407 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 71.1 m -70.42 -17.82 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -173.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -81.06 -22.52 39.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.231 0.538 . . . . 0.0 110.297 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.33 3.46 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.579 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.57 -37.95 49.44 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.224 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 67.27 -63.12 0.3 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.985 0.803 . . . . 0.0 112.355 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -99.19 108.69 21.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.869 0.366 . . . . 0.0 110.043 -179.621 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.6 mt -88.85 -173.42 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.489 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -36.31 72.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.723 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -79.16 88.31 4.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.117 174.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -73.4 114.16 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.029 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -80.09 16.71 1.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.202 0.525 . . . . 0.0 110.749 -178.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -65.38 -30.49 71.32 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -103.61 138.31 40.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.851 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.473 176.903 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -115.18 131.09 57.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -163.32 113.6 1.36 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 38.39 76.02 0.51 Allowed Pre-proline 0 N--CA 1.473 0.688 0 O-C-N 124.442 1.089 . . . . 0.0 113.05 -177.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -86.87 -171.59 0.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.759 2.306 . . . . 0.0 112.169 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -120.64 109.63 15.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.974 0.416 . . . . 0.0 110.105 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -68.25 134.51 50.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.122 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -58.31 124.26 18.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.302 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -92.29 171.48 9.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.28 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 58.26 25.87 13.19 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.141 0.496 . . . . 0.0 110.9 -174.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.0 t -95.21 11.76 31.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.404 0.621 . . . . 0.0 110.273 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.54 153.8 36.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.125 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -105.84 111.1 23.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.3 ttt -80.59 67.67 6.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.247 0.546 . . . . 0.0 111.05 -175.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.9 t -160.13 79.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.356 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -141.38 159.73 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -178.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -140.4 164.91 28.86 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.453 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . . . -154.76 127.83 4.23 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.026 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 18' ' ' ALA . 33.6 Cg_exo -59.98 140.26 91.91 Favored 'Trans proline' 0 C--O 1.237 0.461 0 C-N-CA 122.884 2.389 . . . . 0.0 112.383 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 43.4 mt-10 59.68 50.78 6.84 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.768 -175.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.0 t -89.37 142.77 27.36 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -112.46 127.12 69.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.565 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 46.8 t -87.92 118.45 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.9 m -118.77 156.12 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.028 -172.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -105.97 -3.04 22.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.897 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -107.61 134.79 50.1 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.043 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -80.06 -35.06 37.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 110.957 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 45' ' ' LEU . 30.3 mtpp -96.85 105.77 17.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 176.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.72 138.23 31.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.157 0.503 . . . . 0.0 111.502 -174.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.59 103.29 15.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.623 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 36.3 t -103.54 139.68 38.54 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.093 0.473 . . . . 0.0 110.459 -176.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -135.66 19.77 3.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.172 0.987 . . . . 0.0 108.525 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' HA3' ' HA3' ' A' ' 39' ' ' GLY . . . 72.37 -112.29 3.95 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.912 -172.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -114.5 -41.5 0.87 Allowed Glycine 0 CA--C 1.5 -0.897 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.667 ' HB2' HD12 ' A' ' 38' ' ' LEU . 5.4 mm-40 -157.86 170.59 22.0 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 113.349 -1.426 . . . . 0.0 108.732 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.61 124.61 34.09 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.12 177.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 74.98 -10.39 1.22 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.594 0.758 . . . . 0.0 111.903 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 35' ' ' GLU . 83.3 mt -101.15 76.83 1.76 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' HA3' ' HA3' ' A' ' 33' ' ' GLY . . . 130.56 -105.23 0.64 Allowed Glycine 0 N--CA 1.442 -0.917 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.304 -172.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.566 ' HD2' ' SG ' ' A' ' 59' ' ' CYS . 32.2 p80 -152.5 163.59 23.05 Favored Pre-proline 0 C--N 1.305 -1.353 0 CA-C-N 114.963 -0.619 . . . . 0.0 109.771 177.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.481 ' O ' HG23 ' A' ' 43' ' ' VAL . 35.3 Cg_exo -60.47 156.25 42.66 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.536 2.157 . . . . 0.0 111.763 175.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 2.3 ttp180 -57.07 115.19 2.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.121 0.486 . . . . 0.0 111.888 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 41' ' ' PRO . 11.3 t -120.72 155.29 24.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.458 176.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -110.02 103.24 11.95 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.2 mt -92.2 172.09 8.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.76 -174.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 m -135.88 109.38 7.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.689 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.2 mt -72.4 127.45 90.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.698 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.36 132.16 47.13 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.547 2.165 . . . . 0.0 111.768 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -79.52 -18.32 52.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.381 -175.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -93.08 6.69 47.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.346 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.0 p -118.84 -56.47 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.742 0.306 . . . . 0.0 111.149 176.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.99 0.34 54.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.864 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -166.68 163.54 16.72 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.8 p -166.43 145.52 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.74 0.305 . . . . 0.0 110.704 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 2.4 mp0 -77.98 158.62 29.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 173.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.0 t -73.71 138.07 44.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.18 -12.29 79.55 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.091 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -110.64 -24.83 10.29 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.566 ' SG ' ' HD2' ' A' ' 40' ' ' HIS . 93.8 m -138.96 162.83 33.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.332 0.587 . . . . 0.0 112.152 -176.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.06 -31.89 73.13 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 114.708 -1.133 . . . . 0.0 113.612 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.489 ' NH1' ' HB2' ' A' ' 20' ' ' GLU . 89.7 mtt-85 -65.58 150.06 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.416 0.627 . . . . 0.0 112.191 -172.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 62' ' ' ARG . 42.8 ttm105 -120.12 145.84 46.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.895 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -111.74 147.76 34.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.249 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 67.3 mt -125.92 137.51 57.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.018 -173.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -83.87 146.78 27.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.442 177.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 67' ' ' SER . 7.6 pt-20 -45.05 -39.81 6.1 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 50.8 m -75.83 -4.08 38.7 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -172.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -93.28 -28.92 15.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.912 0.387 . . . . 0.0 110.21 175.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.86 87.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.688 -174.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.95 -30.79 14.56 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.55 178.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.79 -94.57 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.486 -178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -149.47 154.34 38.66 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.22 161.71 18.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.264 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -87.7 94.95 9.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.701 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.9 m80 66.9 159.68 0.14 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.913 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 58.1 m170 -87.0 116.81 25.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.819 175.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -126.07 177.39 6.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.75 -177.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -98.11 155.13 17.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.675 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.99 -7.89 10.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.009 0.433 . . . . 0.0 110.977 177.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.9 t60 . . . . . 0 C--O 1.248 1.012 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.036 . . . . . . . . 0 0 . 1 stop_ save_