data_6rwg_residue ############################ # Computer software used # ############################ 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 6rwg _Structure_validation_residue.Date_analyzed 2020-05-15 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 ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.95 0.405 . . . . 12.54 111.942 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.47 HG13 ' HB2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER 33.27 29.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 116.028 1.862 . . . . 8.91 116.028 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.546 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -72.11 132.88 44.79 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 119.321 0.964 . . . . 13.88 110.371 -179.274 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 21' ' ' TYR . 44.2 tt0 -63.82 129.18 39.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.986 -1.006 . . . . 8.1 111.724 -176.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.85 154.25 30.55 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.638 -0.985 . . . . 9.68 110.638 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.88 -23.06 48.93 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.762 2.308 . . . . 11.51 113.616 -174.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -91.73 -12.51 33.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.842 0.353 . . . . 13.85 110.892 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 4.2 tp10 -88.81 131.42 41.56 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.072 -0.513 . . . . 9.91 111.116 -169.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HA ' ' H ' ' A' ' 77' ' ' GLY . 19.4 Cg_endo -63.78 128.55 22.37 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.966 1.777 . . . . 10.58 111.178 171.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.515 ' O ' HG23 ' A' ' 22' ' ' VAL . 72.0 t80 -43.62 -61.36 1.42 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.829 0.706 . . . . 7.07 112.724 -172.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HB3' HE21 ' A' ' 76' ' ' GLN . 9.5 tpt180 -64.56 -17.75 64.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.004 0.372 . . . . 14.51 112.004 -173.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.426 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . 16.6 t70 -78.02 -39.02 43.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.35 . . . . 11.24 110.299 -178.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.531 ' CD2' ' HD3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -79.76 -32.37 41.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.511 -0.551 . . . . 7.46 109.511 176.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 18' ' ' PHE . 94.4 t -65.35 -26.27 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.915 -0.584 . . . . 6.96 110.106 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -58.88 -40.12 83.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 11.68 111.685 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.689 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -84.53 -19.22 33.55 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.128 -0.629 . . . . 11.78 110.163 -177.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.47 ' HB2' HG13 ' A' ' 10' ' ' ILE . 88.2 t80 -69.14 -33.91 74.18 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.753 -0.832 . . . . 7.02 108.753 168.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -73.22 -28.07 61.96 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.149 -0.932 . . . . 11.69 109.365 -175.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.689 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 16.2 ptmt -75.04 -24.02 58.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.593 -0.73 . . . . 13.74 110.217 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.646 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 30.4 p -84.51 -35.61 22.8 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.204 -0.665 . . . . 10.18 109.204 174.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 tp -67.61 -34.04 76.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.347 -0.842 . . . . 9.09 110.219 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -72.73 -25.84 61.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.58 -0.736 . . . . 14.84 110.681 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.0 -57.69 2.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.858 -0.61 . . . . 12.23 111.42 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' ' 28' ' ' THR . 14.3 pt-20 -88.23 38.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.916 0.389 . . . . 11.14 111.837 -175.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -84.01 41.53 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.22 0.533 . . . . 11.89 111.816 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.88 -63.1 1.43 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.997 -0.547 . . . . 12.28 110.116 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.8 t -83.59 73.5 10.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 12.31 110.169 175.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.74 -31.19 68.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.484 . . . . 12.57 110.242 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.03 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.424 -0.807 . . . . 14.44 111.8 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.2 t -84.13 -34.75 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.019 0.438 . . . . 11.92 109.835 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.511 ' HE2' ' O ' ' A' ' 32' ' ' GLU . 44.9 mmtm -61.7 -52.48 64.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.6 . . . . 9.98 111.167 -178.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.431 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 8.7 t30 -60.87 -44.3 97.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.651 -0.25 . . . . 11.89 110.792 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.79 76.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 11.87 110.728 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.2 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.121 -0.491 . . . . 9.29 110.565 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 39' ' ' LYS . 66.2 p -48.54 -33.33 9.4 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.869 0.692 . . . . 7.6 112.869 -175.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 40' ' ' ASN . 45.5 mt-10 -55.09 -58.43 7.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.114 0.483 . . . . 11.69 111.236 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.9 t -85.07 -26.75 26.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.82 -0.627 . . . . 11.45 110.997 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.53 -57.6 8.71 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 116.089 -0.505 . . . . 8.6 111.418 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.429 HD23 ' CE2' ' A' ' 25' ' ' PHE . 3.4 mm? -64.49 -30.9 71.93 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.35 0.5 . . . . 6.14 112.35 -174.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.546 ' O ' ' HE2' ' A' ' 56' ' ' LYS . 35.6 m -77.55 -33.25 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.304 -0.558 . . . . 9.05 110.892 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -80.27 -22.73 41.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.741 . . . . 12.79 110.112 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.546 ' ND2' ' HA ' ' A' ' 11' ' ' ARG . 23.7 t-20 -69.16 -17.62 63.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.865 -1.062 . . . . 8.64 111.028 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -77.12 157.51 30.97 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.087 -0.506 . . . . 8.36 110.521 -175.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -69.66 145.51 95.01 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 108.382 -0.97 . . . . 9.66 108.382 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -37.76 -49.38 2.01 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.602 2.868 . . . . 12.29 113.644 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.65 -38.21 90.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.341 0.591 . . . . 10.64 111.192 -176.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.6 t -67.06 -49.13 66.16 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.065 -0.97 . . . . 8.04 112.285 -175.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.546 ' HE2' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -69.17 -29.06 66.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.746 -0.596 . . . . 10.04 110.033 178.149 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.2 m -61.0 -44.97 96.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.257 -0.883 . . . . 12.79 111.404 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.713 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.7 pt -73.44 -37.75 51.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.602 -0.439 . . . . 11.46 111.192 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.3 mt -46.73 -48.5 20.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.976 0.417 . . . . 11.84 111.72 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -79.59 -18.55 51.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.052 -0.522 . . . . 15.11 111.521 -177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.47 -42.78 19.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.801 0.334 . . . . 15.64 111.085 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 1.7 pp . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 111.9 0.333 . . . . 15.72 111.9 -176.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 121.133 0.492 . . . . 12.91 109.708 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -76.03 -28.48 57.74 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.057 -0.72 . . . . 16.53 109.057 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -65.43 -47.5 76.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.896 -1.047 . . . . 15.56 110.619 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.0 ptp -69.48 -27.99 65.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.96 0.41 . . . . 10.69 110.291 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.443 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 59.6 ttp -69.76 -43.06 73.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 11.49 109.906 176.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.8 m -69.57 -33.12 72.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.54 -0.755 . . . . 12.19 110.445 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.68 -35.25 74.09 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.869 -0.605 . . . . 9.59 111.066 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 70.2 m -95.12 -4.4 46.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.881 -0.599 . . . . 7.45 111.293 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.468 HE21 ' HB3' ' A' ' 19' ' ' ARG . 92.8 mt-30 -80.4 114.67 19.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.136 -0.69 . . . . 11.35 109.136 171.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.483 ' H ' ' HA ' ' A' ' 17' ' ' PRO . . . 63.09 68.3 1.72 Allowed Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.708 -0.758 . . . . 9.18 111.438 -174.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 120.811 0.339 . . . . 8.24 110.689 -178.897 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 11' ' ' ARG . 16.0 t70 . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 120.799 0.333 . . . . 12.54 110.849 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.64 40.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 113.62 0.97 . . . . 8.91 113.62 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HG2' ' OD1' ' A' ' 50' ' ' ASN . 81.7 mtt180 -76.34 150.44 36.87 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.127 -1.064 . . . . 13.88 108.127 172.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -127.69 157.13 41.12 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.089 -1.044 . . . . 8.1 113.36 -171.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.424 ' HA2' ' HB2' ' A' ' 52' ' ' ASN . . . -109.96 -172.69 20.42 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 114.2 -1.364 . . . . 9.68 111.205 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.67 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 93.8 Cg_endo -86.96 22.59 0.92 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.854 2.369 . . . . 11.51 112.942 -173.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.81 4.58 11.0 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.834 -0.346 . . . . 13.85 111.524 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.54 130.06 31.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 112.186 0.439 . . . . 9.91 112.186 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.09 146.1 51.22 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.369 2.046 . . . . 10.58 110.123 165.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.466 ' CG ' ' HA ' ' A' ' 72' ' ' MET . 82.4 t80 -45.57 -59.13 2.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.393 0.516 . . . . 7.07 112.393 -174.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.48 ' HD2' ' N ' ' A' ' 20' ' ' ASP . 6.6 ppt_? -58.63 -19.52 39.7 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.864 0.69 . . . . 14.51 112.864 -176.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.48 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 37.2 t70 -87.94 -42.22 12.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.324 0.583 . . . . 11.24 109.742 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -46.51 85.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 7.46 109.442 173.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.75 -29.69 47.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.162 -0.927 . . . . 6.96 111.241 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.09 -46.9 72.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 11.68 111.875 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -31.87 23.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.747 0.308 . . . . 11.78 110.386 -178.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.431 ' CD2' HD21 ' A' ' 47' ' ' LEU . 90.4 t80 -67.4 -29.97 69.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.445 -0.343 . . . . 7.02 110.88 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -75.1 -24.32 58.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.463 0.649 . . . . 11.69 109.476 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -62.95 -28.96 70.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.036 -0.984 . . . . 13.74 110.811 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -70.25 -34.83 73.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.096 0.474 . . . . 10.18 110.107 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.58 -26.97 67.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.714 -0.675 . . . . 9.09 110.793 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -80.1 -27.78 39.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.053 -0.521 . . . . 14.84 110.299 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.44 -24.91 27.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.735 -0.666 . . . . 12.23 111.89 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -86.02 -167.28 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 11.14 110.789 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -62.02 150.77 37.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.213 0.53 . . . . 11.89 110.352 175.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.93 -20.42 49.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.623 -0.717 . . . . 12.28 111.955 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.3 m -50.47 107.25 0.15 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.676 0.61 . . . . 12.31 111.814 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -74.1 -27.84 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.871 -0.604 . . . . 12.57 111.436 -176.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.38 -32.64 70.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.433 -0.349 . . . . 14.44 111.167 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.4 -36.57 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.37 -0.377 . . . . 11.92 110.374 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.68 -46.78 83.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.885 -0.598 . . . . 9.98 111.391 -175.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -63.42 -36.3 83.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.377 -0.374 . . . . 11.89 111.556 -176.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.04 -28.85 43.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.086 0.47 . . . . 11.87 110.916 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.38 -60.43 2.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 9.29 111.289 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 p -57.83 -31.18 66.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.866 -0.606 . . . . 7.6 112.484 -173.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 45' ' ' THR . 9.4 pt-20 -55.43 -49.19 73.05 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 121.002 -0.279 . . . . 11.69 110.96 -176.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 8.9 t -87.24 -35.51 18.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.074 0.464 . . . . 11.45 110.823 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -69.4 -36.87 77.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 8.6 111.456 -172.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.431 HD21 ' CD2' ' A' ' 25' ' ' PHE . 3.5 tm? -66.66 -47.33 72.83 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.775 0.321 . . . . 6.14 110.21 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.714 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 34.9 m -72.25 -27.08 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.991 0.424 . . . . 9.05 111.767 -176.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.525 ' HA ' ' NZ ' ' A' ' 56' ' ' LYS . 14.8 mm100 -76.64 -19.34 57.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.66 0.266 . . . . 12.79 111.4 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.423 ' OD1' ' HG2' ' A' ' 11' ' ' ARG . 14.2 t30 -96.81 10.76 37.94 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.175 -0.466 . . . . 8.64 111.546 -174.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.09 178.11 4.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.916 0.389 . . . . 8.36 110.982 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.424 ' HB2' ' HA2' ' A' ' 13' ' ' GLY . 22.5 t-20 -71.56 141.9 85.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.813 -0.63 . . . . 9.66 110.469 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -37.12 -50.51 1.56 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.547 2.832 . . . . 12.29 113.516 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' A' ' 57' ' ' THR . 10.8 t70 -65.07 -45.17 86.42 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.272 0.558 . . . . 10.64 111.034 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.67 ' SG ' ' HA ' ' A' ' 14' ' ' PRO . 58.4 m -64.31 -36.0 82.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.289 -0.868 . . . . 8.04 111.185 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.714 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 16.0 mtpp -70.58 -40.92 73.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.588 0.708 . . . . 10.04 109.311 175.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 18.4 m -54.03 -53.23 55.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.36 -1.291 . . . . 12.79 112.332 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.631 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 26.5 pt -57.53 -40.45 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.834 0.309 . . . . 11.46 111.834 -177.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.492 HD23 ' SG ' ' A' ' 75' ' ' CYS . 73.0 mt -59.57 -47.21 86.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.028 0.442 . . . . 11.84 111.157 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -80.31 -20.5 44.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.188 -0.46 . . . . 15.11 110.632 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.88 -13.19 59.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 15.64 111.006 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 66.1 mt . . . . . 0 C--N 1.331 -0.212 0 CA-C-O 121.084 0.469 . . . . 15.72 110.364 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.796 0.332 . . . . 12.91 110.298 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -70.24 -24.09 63.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.404 0.621 . . . . 16.53 109.961 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -67.48 -49.0 65.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.201 -0.909 . . . . 15.56 110.196 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.8 ptp -68.97 -27.36 65.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 10.69 110.341 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.466 ' HA ' ' CG ' ' A' ' 18' ' ' PHE . 47.4 ttm -64.96 -51.98 58.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.122 0.487 . . . . 11.49 109.85 176.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.4 m -63.81 -28.97 70.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.262 -0.881 . . . . 12.19 111.15 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.2 20.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.67 -0.696 . . . . 9.59 111.682 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.492 ' SG ' HD23 ' A' ' 59' ' ' LEU . 72.0 m -87.58 10.63 17.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.995 0.369 . . . . 7.45 111.995 -176.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -104.78 123.27 47.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.378 -0.601 . . . . 11.35 109.378 173.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.7 17.21 76.47 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.662 -0.78 . . . . 9.18 111.915 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.299 0.571 . . . . 8.24 110.561 -177.826 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.861 0.363 . . . . 12.54 110.528 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.1 pt -71.15 63.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.827 -0.624 . . . . 8.91 112.491 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.479 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 12.0 ptp180 -133.05 172.75 12.22 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.273 -0.639 . . . . 13.88 109.273 174.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -122.75 143.24 49.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.168 0.509 . . . . 8.1 111.595 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.25 169.3 18.53 Favored Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.862 -0.895 . . . . 9.68 110.862 170.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.52 -34.78 84.8 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.409 2.073 . . . . 11.51 112.512 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -94.42 3.65 54.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.388 -0.369 . . . . 13.85 111.267 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -82.29 128.53 67.09 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.79 0.328 . . . . 9.91 110.779 -175.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.94 112.07 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.416 2.077 . . . . 10.58 110.452 170.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -51.96 -35.58 46.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.509 -0.769 . . . . 7.07 111.25 -176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.474 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 72.1 ttt180 -71.08 -18.89 62.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.303 -0.408 . . . . 14.51 111.871 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -86.81 -59.61 2.22 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.301 -0.559 . . . . 11.24 111.79 -172.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.55 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 6.2 m-85 -75.59 -24.66 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.475 -0.49 . . . . 7.46 111.896 -175.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.7 t -79.57 -25.46 12.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.132 0.491 . . . . 6.96 109.868 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 20.9 t70 -61.79 -36.54 81.39 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.97 -0.752 . . . . 11.68 108.97 171.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.55 ' HD2' ' HA ' ' A' ' 21' ' ' TYR . 31.6 mtt180 -70.24 -35.47 73.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.173 -0.921 . . . . 11.78 109.679 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.493 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 66.4 t80 -61.67 -34.3 75.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.208 -0.905 . . . . 7.02 110.046 177.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -81.59 -36.67 28.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.795 -0.639 . . . . 11.69 109.911 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 41.9 mmtm -60.51 -43.56 96.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.79 -0.641 . . . . 13.74 111.533 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 t -68.22 -27.59 66.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.929 0.395 . . . . 10.18 110.561 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 85.8 mt -74.42 -24.82 59.15 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.913 0.387 . . . . 9.09 110.043 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -71.62 -34.47 69.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.839 -0.619 . . . . 14.84 110.572 175.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.62 -57.62 6.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.182 -0.463 . . . . 12.23 110.511 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -89.86 43.81 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.179 0.514 . . . . 11.14 110.651 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -63.17 -13.64 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.995 -0.548 . . . . 11.89 112.062 -175.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.4 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.085 0.469 . . . . 12.28 110.63 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 15.4 m -82.73 54.24 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.102 -0.499 . . . . 12.31 111.374 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -67.62 -33.6 75.31 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.249 0.547 . . . . 12.57 110.435 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -55.83 -33.5 64.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.054 -0.975 . . . . 14.44 111.204 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.1 t -81.8 -38.22 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.185 -0.461 . . . . 11.92 110.075 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 35' ' ' SER . 97.1 mttt -53.97 -42.24 68.73 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.474 -0.785 . . . . 9.98 111.624 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -43.42 -56.05 3.81 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.765 0.666 . . . . 11.89 112.096 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.1 -44.6 14.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.224 -0.444 . . . . 11.87 110.529 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.721 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -60.37 -53.92 51.78 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.787 -0.642 . . . . 9.29 112.261 -173.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 39' ' ' LYS . 4.6 t -58.28 -31.31 67.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.911 0.386 . . . . 7.6 111.507 -170.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -84.01 -44.48 14.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.377 -0.374 . . . . 11.69 111.384 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.48 ' O ' HG13 ' A' ' 48' ' ' VAL . 9.9 t -84.11 -27.13 28.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.11 0.481 . . . . 11.45 110.573 -174.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.721 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -72.41 -51.23 21.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.063 -0.517 . . . . 8.6 110.779 178.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.5 tp -67.48 -26.29 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.763 0.316 . . . . 6.14 110.246 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 45' ' ' THR . 1.6 p -81.82 -30.68 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 9.05 110.735 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -81.75 -47.05 13.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.209 0.528 . . . . 12.79 110.646 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.479 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 7.3 m-20 -70.28 -15.69 62.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.528 -0.76 . . . . 8.64 112.25 -176.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.27 151.78 41.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.03 0.443 . . . . 8.36 110.012 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -69.0 135.39 89.6 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.804 -0.634 . . . . 9.66 109.468 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -38.88 -50.32 2.57 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.93 3.087 . . . . 12.29 113.327 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.59 -46.65 89.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.838 -0.619 . . . . 10.64 112.276 -174.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.604 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 30.6 p -75.66 -41.02 55.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.077 -0.51 . . . . 8.04 111.709 -170.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -72.61 -23.68 60.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.288 0.566 . . . . 10.04 109.93 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.515 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 20.3 m -68.71 -45.27 72.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.611 -0.722 . . . . 12.79 111.189 173.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 55' ' ' CYS . 2.8 pp -74.8 -24.14 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.263 0.468 . . . . 11.46 112.263 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 66.8 mt -56.03 -45.47 79.14 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.846 0.355 . . . . 11.84 111.637 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -70.11 -20.87 63.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.465 . . . . 15.11 111.536 -174.393 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.47 -34.45 23.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.967 0.413 . . . . 15.64 110.723 176.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.869 -0.605 . . . . 15.72 112.114 -177.399 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.581 0.229 . . . . 12.91 111.194 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -72.31 -27.62 62.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.882 0.372 . . . . 16.53 111.45 -173.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -81.09 -35.49 31.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.938 0.399 . . . . 15.56 110.565 -175.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.9 ptp -76.3 -28.08 56.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.569 -0.53 . . . . 10.69 109.569 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.474 ' SD ' ' HB2' ' A' ' 19' ' ' ARG . 58.0 ttp -68.25 -40.89 81.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.926 -0.579 . . . . 11.49 110.228 175.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.467 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 32.7 m -69.33 -29.13 66.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.698 -0.683 . . . . 12.19 110.487 176.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.81 62.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.532 -0.758 . . . . 9.59 111.773 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.4 ' SG ' HD13 ' A' ' 58' ' ' ILE . 74.7 m -86.23 -24.71 25.94 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.322 0.49 . . . . 7.45 112.322 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 73' ' ' THR . 10.6 pt20 -80.01 114.95 19.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.382 0.61 . . . . 11.35 110.298 -178.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.86 56.37 4.52 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.693 -0.765 . . . . 9.18 112.543 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 109.301 -0.629 . . . . 8.24 109.301 173.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.631 0.253 . . . . 12.54 111.446 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.547 ' HA ' ' HG3' ' A' ' 24' ' ' ARG . 11.5 pt -76.79 55.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.796 0.808 . . . . 8.91 112.392 -173.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -127.57 157.68 39.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.63 -0.714 . . . . 13.88 109.282 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.438 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 40.7 tt0 -108.45 142.69 38.45 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.455 -0.339 . . . . 8.1 111.011 -172.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.83 159.61 34.63 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.235 -0.746 . . . . 9.68 111.235 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -42.64 -49.37 6.58 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.667 2.911 . . . . 11.51 114.216 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 14.35 18.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.356 . . . . 13.85 111.717 -174.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.77 131.52 92.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 9.91 110.973 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -58.47 119.13 6.18 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.481 2.12 . . . . 10.58 110.828 173.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.695 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 44.3 t80 -53.59 -30.41 42.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.517 -0.765 . . . . 7.07 111.429 -177.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -58.78 -34.56 71.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 14.51 111.09 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 29.4 t70 -85.73 -34.35 21.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.057 0.456 . . . . 11.24 110.491 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.473 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 11.1 t80 -57.37 -35.08 69.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.686 0.755 . . . . 7.46 109.889 171.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 18' ' ' PHE . 47.8 t -72.38 -38.75 61.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.056 -0.975 . . . . 6.96 110.392 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 10.9 t70 -52.14 -47.15 65.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.54 -0.754 . . . . 11.68 111.819 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.547 ' HG3' ' HA ' ' A' ' 10' ' ' ILE . 4.6 ptm180 -72.92 -39.74 66.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 11.78 110.011 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.689 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 51.8 t80 -64.18 -27.82 69.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.446 -0.797 . . . . 7.02 110.984 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -79.47 -39.77 31.38 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.4 0.619 . . . . 11.69 109.798 -176.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 9.7 mtmp? -64.38 -29.12 70.19 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.463 -0.79 . . . . 13.74 112.349 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.547 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 14.8 t -77.74 -30.78 51.77 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.269 -0.573 . . . . 10.18 110.25 176.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 81.1 mt -70.43 -32.18 69.66 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.457 -0.338 . . . . 9.09 111.109 -177.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 23.5 ptt180 -70.49 -22.46 62.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.405 0.621 . . . . 14.84 110.278 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -56.21 4.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.352 -0.84 . . . . 12.23 110.544 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.3 pt-20 -86.65 52.01 2.39 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.667 0.746 . . . . 11.14 111.153 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -64.17 -17.56 63.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.552 -0.749 . . . . 11.89 111.849 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.39 -38.84 29.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.841 0.353 . . . . 12.28 111.091 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m -81.89 69.23 8.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.984 -0.553 . . . . 12.31 111.103 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -71.36 -43.47 66.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.951 -0.568 . . . . 12.57 111.091 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -68.39 -28.46 67.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.282 0.563 . . . . 14.44 110.675 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -71.45 -45.52 68.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.609 -0.723 . . . . 11.92 110.675 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -74.57 -23.61 58.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.167 0.508 . . . . 9.98 110.535 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -67.81 -30.15 69.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.602 -0.726 . . . . 11.89 109.243 175.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.99 -37.66 21.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.336 -0.847 . . . . 11.87 110.02 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.531 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -59.13 -36.84 75.91 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.163 -0.926 . . . . 9.29 111.872 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 47' ' ' LEU . 17.8 p -60.26 -43.02 96.5 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.978 0.418 . . . . 7.6 111.439 -178.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -85.75 -44.06 12.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.525 0.565 . . . . 11.69 112.525 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.0 m -83.87 -45.28 13.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.159 0.504 . . . . 11.45 111.507 -175.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.531 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 2.1 tm? -87.76 -51.44 5.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.841 -0.618 . . . . 8.6 111.262 -171.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.533 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.5 tm? -67.36 -25.87 66.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.716 0.769 . . . . 6.14 109.891 -172.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.53 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 55.5 t -81.31 -48.47 18.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.875 -0.602 . . . . 9.05 110.938 176.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -71.65 -32.5 67.99 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.175 0.435 . . . . 12.79 112.175 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 1.4 m-20 -81.44 2.1 30.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.209 0.818 . . . . 8.64 113.209 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.547 ' CB ' ' HD3' ' A' ' 56' ' ' LYS . . . -105.71 -179.93 4.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 118.916 -1.114 . . . . 8.36 111.008 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.509 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 39.1 t30 -62.64 121.17 65.97 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.71 -0.677 . . . . 9.66 110.092 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -38.39 -52.82 1.88 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.394 2.729 . . . . 12.29 112.881 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.81 -46.92 71.25 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.879 0.737 . . . . 10.64 112.029 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.546 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 65.5 m -60.34 -41.33 93.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.447 -0.797 . . . . 8.04 111.186 -176.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.547 ' HD3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.23 -22.99 41.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.456 0.646 . . . . 10.04 111.705 176.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.594 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 55.2 m -66.68 -45.89 77.41 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.952 -1.022 . . . . 12.79 111.261 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 42.1 pt -68.4 -30.16 46.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 111.622 0.23 . . . . 11.46 111.622 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 46.2 mt -53.29 -43.43 67.51 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.351 0.5 . . . . 11.84 112.351 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 57' ' ' THR . 13.1 pttp -71.31 -20.41 62.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.865 0.364 . . . . 15.11 110.919 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.35 -12.6 59.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 15.64 110.617 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.2 mt . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 121.003 0.43 . . . . 15.72 110.205 175.166 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.197 -0.297 . . . . 12.91 110.197 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.9 -28.19 60.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.222 0.534 . . . . 16.53 110.236 -175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.47 -50.32 65.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.155 -0.929 . . . . 15.56 110.121 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.2 ptp -69.62 -29.84 67.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 10.69 110.519 -178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.695 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 44.2 ttm -69.28 -48.48 61.55 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.012 -0.54 . . . . 11.49 110.082 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -67.76 -46.89 70.77 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.162 -0.926 . . . . 12.19 111.18 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.61 83.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.735 -0.666 . . . . 9.59 112.523 -174.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 71.4 m -88.4 11.81 15.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.21 0.448 . . . . 7.45 112.21 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' A' ' 72' ' ' MET . 79.2 mt-30 -99.83 115.71 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.954 0.407 . . . . 11.35 110.517 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.52 -1.83 39.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 9.18 112.697 177.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.4 t . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 120.906 0.384 . . . . 8.24 110.564 -179.774 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 113.12 0.785 . . . . 12.54 113.12 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.445 HG23 ' HA ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -91.66 146.6 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.767 -0.827 . . . . 8.91 108.767 171.353 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -140.78 161.8 36.94 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.359 -0.537 . . . . 13.88 111.251 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.414 ' HG3' ' HB3' ' A' ' 16' ' ' GLU . 64.6 tt0 -113.18 135.76 53.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.671 -0.695 . . . . 8.1 109.56 176.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.78 -150.52 24.8 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.07 -0.586 . . . . 9.68 112.448 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.55 -66.28 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.922 2.415 . . . . 11.51 112.9 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -108.2 13.71 25.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.073 -0.512 . . . . 13.85 110.832 -175.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' HB3' ' HG3' ' A' ' 12' ' ' GLN . 5.5 tp10 -51.78 118.98 12.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.606 -0.724 . . . . 9.91 110.846 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.61 123.87 14.75 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.294 1.996 . . . . 10.58 110.698 175.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -60.38 -28.87 68.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.277 -0.42 . . . . 7.07 110.523 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.72 -23.24 64.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.748 0.309 . . . . 14.51 110.725 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.31 -39.86 14.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.271 0.558 . . . . 11.24 109.549 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.444 ' CE1' HG12 ' A' ' 10' ' ' ILE . 45.3 t80 -55.55 -41.28 73.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.296 -0.866 . . . . 7.46 109.875 173.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.05 -35.26 28.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.115 -0.948 . . . . 6.96 110.282 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.83 -48.4 72.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.005 -0.543 . . . . 11.68 111.602 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -70.79 -34.98 72.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.295 0.569 . . . . 11.78 109.734 -176.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.445 ' HA ' HG23 ' A' ' 10' ' ' ILE . 71.0 t80 -65.28 -43.31 91.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.031 -0.986 . . . . 7.02 111.334 177.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -84.4 -27.99 27.23 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.997 -0.547 . . . . 11.69 110.857 -169.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -72.09 -33.46 67.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.081 -0.509 . . . . 13.74 110.827 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 t -84.75 -27.16 27.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.73 -0.47 . . . . 10.18 109.73 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 55.3 tp -59.42 -37.84 79.08 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.556 -0.747 . . . . 9.09 110.789 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -82.82 -33.6 27.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 14.84 112.926 -173.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.17 -60.63 2.03 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 112.901 0.704 . . . . 12.23 112.901 -171.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -93.76 29.59 2.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.605 0.595 . . . . 11.14 112.605 -171.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.465 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 3.2 pt20 -71.49 70.62 0.64 Allowed 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.465 0.543 . . . . 11.89 112.465 -173.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.0 -65.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.742 0.645 . . . . 12.28 112.742 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.732 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 16.1 m -84.6 65.65 9.13 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.994 0.368 . . . . 12.31 111.994 -174.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.512 ' HG2' ' N ' ' A' ' 37' ' ' GLU . 4.8 pm0 -48.88 -46.67 42.97 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.598 0.962 . . . . 12.57 113.598 -172.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.512 ' N ' ' HG2' ' A' ' 36' ' ' GLN . 14.9 tt0 -49.7 -58.4 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.983 1.105 . . . . 14.44 113.983 -168.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.7 t -83.0 -23.82 8.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.224 0.535 . . . . 11.92 110.859 -174.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.732 ' HG2' ' O ' ' A' ' 35' ' ' SER . 70.6 mmtt -80.19 -35.63 36.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.951 -0.568 . . . . 9.98 110.63 -174.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.62 -36.07 64.11 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.932 0.396 . . . . 11.89 111.327 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.63 -29.79 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.118 0.485 . . . . 11.87 110.195 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.639 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -76.56 -34.86 58.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.663 -0.698 . . . . 9.29 110.849 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -48.11 -39.14 19.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.894 0.877 . . . . 7.6 112.291 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -83.62 -43.08 16.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.888 -0.596 . . . . 11.69 111.538 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 t -84.59 -22.26 30.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.068 -0.514 . . . . 11.45 111.43 -173.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -74.91 -38.33 61.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.537 -0.301 . . . . 8.6 110.807 -177.762 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.27 -43.9 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 6.14 111.464 177.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.6 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 18.8 m -82.39 -26.15 8.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.85 -0.34 . . . . 9.05 111.797 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.45 -58.0 9.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.338 -0.392 . . . . 12.79 111.56 -176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -95.1 12.68 27.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.344 0.498 . . . . 8.64 112.344 -172.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.46 ' HB1' ' HB3' ' A' ' 56' ' ' LYS . . . -77.47 171.23 15.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.961 0.41 . . . . 8.36 110.678 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.512 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 26.4 t-20 -65.84 134.33 95.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.857 -0.61 . . . . 9.66 109.418 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.432 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . 71.9 Cg_exo -37.91 -51.46 1.88 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.587 2.858 . . . . 12.29 113.783 -177.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.474 ' O ' ' HB ' ' A' ' 57' ' ' THR . 6.1 t70 -75.29 -39.05 60.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.081 0.467 . . . . 10.64 110.827 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.516 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 75.1 m -61.05 -45.31 95.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.434 -0.803 . . . . 8.04 111.627 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.6 ' HD2' ' O ' ' A' ' 48' ' ' VAL . 2.0 pttt -75.05 -23.87 58.16 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.144 -0.622 . . . . 10.04 110.465 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 21.4 m -62.57 -43.98 97.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.55 -0.75 . . . . 12.79 110.447 175.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.684 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 29.5 pt -83.97 -29.93 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 11.46 112.089 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 22.6 mt -44.31 -50.84 8.86 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.969 0.414 . . . . 11.84 111.983 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -78.16 -20.14 52.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.096 -0.502 . . . . 15.11 111.548 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.93 -40.72 27.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.455 -0.339 . . . . 15.64 110.872 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 2.2 pp . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.543 -0.299 . . . . 15.72 111.35 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.388 0.137 . . . . 12.91 111.115 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.67 -23.72 45.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.373 0.606 . . . . 16.53 109.723 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -63.96 -48.62 75.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.105 -0.952 . . . . 15.56 110.15 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.7 ptm -73.83 -25.56 60.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.952 -0.567 . . . . 10.69 110.612 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 47.1 ttm -70.68 -52.33 21.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.359 0.6 . . . . 11.49 110.178 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.441 HG23 HE21 ' A' ' 76' ' ' GLN . 88.8 m -62.4 -34.73 77.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.127 -0.942 . . . . 12.19 110.744 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.26 -20.28 66.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.956 -0.566 . . . . 9.59 111.909 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 60.6 m -117.16 10.59 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.603 0.594 . . . . 7.45 112.603 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.441 HE21 HG23 ' A' ' 73' ' ' THR . 29.8 pt20 -100.99 116.34 32.6 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.123 -0.631 . . . . 11.35 110.355 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.4 59.3 8.51 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.607 -0.724 . . . . 9.18 111.951 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.494 0.664 . . . . 8.24 110.237 -178.768 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.49 ' O ' HD13 ' A' ' 10' ' ' ILE . 6.8 m-20 . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 119.571 -0.252 . . . . 12.54 111.216 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.586 HD12 ' CD1' ' A' ' 25' ' ' PHE . 1.1 pp 29.39 50.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.359 1.064 . . . . 8.91 113.664 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.477 ' HG3' ' HB3' ' A' ' 9' ' ' ASP . 67.5 mtt180 -90.77 173.35 8.06 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.837 -0.801 . . . . 13.88 108.837 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 21' ' ' TYR . 41.1 tt0 -91.4 104.83 17.3 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.173 -0.611 . . . . 8.1 110.729 178.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.04 154.24 49.93 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 110.782 -0.927 . . . . 9.68 110.782 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.51 1.27 2.71 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.531 2.154 . . . . 11.51 113.322 -175.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -119.57 3.14 11.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.625 -0.261 . . . . 13.85 111.458 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -91.36 120.11 68.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 111.778 0.288 . . . . 9.91 111.778 -168.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -71.49 142.31 40.27 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.903 2.402 . . . . 10.58 111.496 172.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.547 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 61.4 t80 -46.21 -57.84 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.17 0.804 . . . . 7.07 113.17 -172.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -53.6 -37.24 62.81 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.301 0.482 . . . . 14.51 112.301 -174.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 33.8 t70 -81.05 -43.87 18.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.022 0.439 . . . . 11.24 109.867 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 12' ' ' GLN . 5.5 t80 -50.75 -44.85 58.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.385 -0.825 . . . . 7.46 110.465 174.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 80.6 t -75.25 -33.83 29.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.249 -0.887 . . . . 6.96 110.658 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.57 -39.91 89.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.123 0.487 . . . . 11.68 110.298 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 25.5 mtp180 -69.08 -49.3 58.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.798 0.808 . . . . 11.78 109.394 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CD1' HD12 ' A' ' 10' ' ' ILE . 48.8 t80 -62.08 -28.36 69.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.197 -1.365 . . . . 7.02 111.435 -176.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -89.52 -32.5 17.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.806 0.336 . . . . 11.69 110.956 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 16.8 pttp -69.49 -27.82 65.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.559 -0.291 . . . . 13.74 110.888 -174.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -72.15 -30.97 65.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 10.18 110.407 174.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 76.7 mt -70.12 -35.5 74.15 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.155 -0.475 . . . . 9.09 111.008 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -81.52 -26.01 35.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.182 0.515 . . . . 14.84 110.428 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.79 -30.39 56.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.591 -0.731 . . . . 12.23 111.639 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -82.68 -163.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.698 0.285 . . . . 11.14 110.637 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -60.43 150.16 31.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.711 0.767 . . . . 11.89 110.66 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 36' ' ' GLN . . . -74.88 -20.38 59.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.946 -1.025 . . . . 12.28 112.656 -171.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.405 ' O ' ' HE2' ' A' ' 39' ' ' LYS . 4.6 m -41.71 95.99 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.986 0.804 . . . . 12.31 112.375 -177.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 22.7 mt-30 -80.91 -30.65 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 12.57 111.432 -174.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.41 -35.83 65.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 14.44 111.801 -175.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.2 t -80.35 -43.4 21.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.968 0.413 . . . . 11.92 110.339 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' ' 35' ' ' SER . 51.7 mtmt -70.98 -50.28 36.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 9.98 111.51 -171.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.423 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 7.2 m120 -60.5 -35.68 76.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.097 -0.501 . . . . 11.89 112.153 -174.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.71 -39.86 23.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.871 0.367 . . . . 11.87 111.049 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -64.8 -51.42 62.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 9.29 111.077 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.6 p -55.4 -27.71 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.938 0.718 . . . . 7.6 112.938 -174.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 40' ' ' ASN . 43.0 mt-10 -58.99 -54.82 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.203 0.525 . . . . 11.69 110.098 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.0 m -78.72 -33.21 46.94 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.597 -0.729 . . . . 11.45 110.704 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -59.8 -53.76 54.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 8.6 110.654 -178.219 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.05 -27.21 68.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.221 0.534 . . . . 6.14 110.539 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.3 t -81.42 -24.42 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.555 -0.748 . . . . 9.05 110.623 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -79.68 -48.49 13.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.782 -0.645 . . . . 12.79 111.101 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 11' ' ' ARG . 32.2 p-10 -94.17 14.23 20.76 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.18 0.437 . . . . 8.64 112.18 -174.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.12 166.55 17.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.853 0.358 . . . . 8.36 110.343 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.511 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 35.6 t30 -65.47 127.61 93.11 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 108.916 -0.772 . . . . 9.66 108.916 174.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.511 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 54.1 Cg_exo -37.63 -54.91 1.15 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.408 2.739 . . . . 12.29 113.4 -177.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.51 -42.11 98.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.643 0.735 . . . . 10.64 111.281 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.471 ' O ' HG12 ' A' ' 58' ' ' ILE . 42.7 t -62.41 -41.6 98.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.456 -1.247 . . . . 8.04 111.958 -173.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -78.8 -22.57 46.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.417 0.627 . . . . 10.04 110.29 177.453 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 29.5 m -68.83 -40.45 79.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.252 -0.885 . . . . 12.79 111.294 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.589 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.1 pt -65.39 -34.44 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.949 -0.301 . . . . 11.46 111.018 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.659 HD21 ' SG ' ' A' ' 75' ' ' CYS . 77.1 mt -57.82 -46.51 84.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.258 0.551 . . . . 11.84 110.916 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 57' ' ' THR . 18.1 ptmt -79.87 -19.45 48.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.677 -0.692 . . . . 15.11 110.484 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.55 -30.94 61.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.581 . . . . 15.64 110.606 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 74.5 mt . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.207 -0.451 . . . . 15.72 110.875 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.6 0.238 . . . . 12.91 111.258 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -79.15 -24.06 43.55 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.413 -0.515 . . . . 16.53 109.927 -174.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -64.5 -51.84 60.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.367 -0.833 . . . . 15.56 109.857 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -68.7 -28.17 66.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.894 -0.594 . . . . 10.69 110.787 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.547 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 40.1 ttp -71.14 -50.35 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.755 -0.461 . . . . 11.49 109.755 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.1 m -68.17 -33.24 74.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.513 -0.767 . . . . 12.19 111.454 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.12 -42.33 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.235 -0.439 . . . . 9.59 111.738 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.659 ' SG ' HD21 ' A' ' 59' ' ' LEU . 72.2 m -99.63 0.81 42.81 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.717 0.636 . . . . 7.45 112.717 -172.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -81.8 115.45 21.03 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.869 -0.733 . . . . 11.35 109.894 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.52 58.94 11.83 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.454 -0.794 . . . . 9.18 112.854 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.5 t . . . . . 0 N--CA 1.462 0.13 0 N-CA-C 109.806 -0.442 . . . . 8.24 109.806 177.696 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 11' ' ' ARG . 30.6 t70 . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 121.688 0.756 . . . . 12.54 110.488 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 pt -74.6 20.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.554 -0.748 . . . . 8.91 111.714 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.482 ' H ' ' C ' ' A' ' 9' ' ' ASP . 16.1 ptt180 -91.95 171.04 9.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.64 -0.709 . . . . 13.88 109.579 177.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.455 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 57.2 tt0 -104.54 120.34 41.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.829 0.347 . . . . 8.1 110.159 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.27 169.82 50.96 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.725 -0.75 . . . . 9.68 111.802 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -55.74 -33.53 88.08 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.298 2.665 . . . . 11.51 113.862 -175.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -118.85 9.43 12.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.006 0.431 . . . . 13.85 110.853 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' CD ' HH12 ' A' ' 24' ' ' ARG . 7.7 tt0 -75.32 126.35 87.87 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 115.761 -0.654 . . . . 9.91 110.854 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.86 139.2 51.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.477 2.118 . . . . 10.58 112.544 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.662 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 77.4 t80 -48.79 -61.06 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.026 0.38 . . . . 7.07 112.026 -176.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -62.47 -7.78 5.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.292 0.479 . . . . 14.51 112.292 -175.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.486 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 14.6 t70 -87.89 -48.38 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.974 -0.29 . . . . 11.24 110.391 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 4.5 p90 -75.2 -31.8 61.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.529 -0.468 . . . . 7.46 110.45 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.8 t -68.92 -24.95 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.999 -0.546 . . . . 6.96 109.763 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 23.3 t70 -67.61 -36.36 80.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.883 -0.599 . . . . 11.68 110.181 -178.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.541 ' CZ ' ' HA ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -75.87 -35.22 59.96 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.421 -0.585 . . . . 11.78 109.421 177.219 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 83.4 t80 -62.08 -35.69 79.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.357 -0.838 . . . . 7.02 110.001 176.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.538 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 62.6 t80 -74.29 -34.16 63.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.815 -0.629 . . . . 11.69 109.694 -177.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 56.0 mtpt -58.23 -53.43 58.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.442 -0.799 . . . . 13.74 111.159 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.586 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 11.5 t -71.61 -25.56 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.954 -0.298 . . . . 10.18 110.447 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 22.3 tp -65.72 -30.86 71.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 9.09 110.439 -177.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 40.3 mtm180 -73.09 -27.78 61.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 14.84 110.336 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.63 -52.06 5.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.908 -0.587 . . . . 12.23 111.553 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.4 pt-20 -86.15 29.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.076 0.465 . . . . 11.14 111.368 -175.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -73.13 -5.44 39.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 11.89 110.961 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.13 -52.84 62.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.786 -0.643 . . . . 12.28 110.444 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 m -82.03 75.18 8.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.325 -0.621 . . . . 12.31 109.325 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.58 -42.39 92.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 12.57 112.251 -171.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -55.92 -48.97 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.448 0.536 . . . . 14.44 112.448 -176.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -78.12 -30.64 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 111.994 0.368 . . . . 11.92 111.994 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -28.89 42.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.108 0.48 . . . . 9.98 110.249 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.28 -22.03 59.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.524 0.678 . . . . 11.89 109.244 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.517 ' O ' HG22 ' A' ' 45' ' ' THR . . . -82.64 -41.85 18.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.513 -0.767 . . . . 11.87 109.647 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.668 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -58.95 -38.31 78.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.382 -0.826 . . . . 9.29 111.742 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 t -65.84 -35.0 79.44 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.467 -0.493 . . . . 7.6 111.046 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -85.78 -57.91 2.86 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.688 -0.405 . . . . 11.69 111.959 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 41' ' ' ALA . 14.6 t -86.21 -30.66 22.23 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.347 0.499 . . . . 11.45 112.347 -172.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.668 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 29.5 tp -83.91 -37.68 22.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.432 -0.507 . . . . 8.6 111.723 -174.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.1 mt -58.98 -34.7 72.13 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.48 -0.488 . . . . 6.14 111.441 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.487 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 17.0 m -82.04 -26.26 9.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.803 0.335 . . . . 9.05 110.923 176.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.2 -51.5 17.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.456 -0.338 . . . . 12.79 110.199 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -81.21 2.76 26.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.572 -0.286 . . . . 8.64 111.445 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.455 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -68.98 166.58 17.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 8.36 110.691 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.698 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 38.7 t30 -62.5 127.33 89.88 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.044 -0.724 . . . . 9.66 109.044 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.526 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 50.5 Cg_exo -36.79 -53.53 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.944 3.096 . . . . 12.29 114.001 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.4 -36.48 81.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.938 0.399 . . . . 10.64 111.352 -175.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.698 ' SG ' ' HB3' ' A' ' 52' ' ' ASN . 61.2 m -63.61 -54.33 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.833 -0.621 . . . . 8.04 110.979 -177.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HD2' ' O ' ' A' ' 48' ' ' VAL . 2.9 pttt -68.37 -23.9 64.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.161 0.505 . . . . 10.04 110.476 -177.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.1 m -63.14 -41.52 99.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.684 -0.689 . . . . 12.79 111.11 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 55' ' ' CYS . 2.9 pp -83.8 -22.37 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.771 -0.372 . . . . 11.46 111.671 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.577 HD11 ' SG ' ' A' ' 75' ' ' CYS . 66.2 mt -58.1 -42.77 86.39 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.263 0.554 . . . . 11.84 110.731 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -75.85 -21.75 56.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.893 -0.594 . . . . 15.11 110.543 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.22 -23.65 60.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 15.64 110.532 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-N 116.013 -0.54 . . . . 15.72 110.552 176.668 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 C--O 1.229 0.024 0 CA-C-O 120.363 0.125 . . . . 12.91 110.789 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.32 -25.25 62.33 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.338 0.589 . . . . 16.53 109.948 -176.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.38 -54.97 24.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.008 -0.996 . . . . 15.56 109.789 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.9 ptm -70.45 -28.19 64.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.681 -0.69 . . . . 10.69 110.721 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.662 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 46.9 ttp -68.76 -38.68 80.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.269 0.556 . . . . 11.49 109.788 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.3 m -84.26 -35.62 23.27 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.062 -0.972 . . . . 12.19 111.209 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.03 -52.7 11.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.978 -0.555 . . . . 9.59 112.233 -174.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.577 ' SG ' HD11 ' A' ' 59' ' ' LEU . 77.5 m -63.34 -24.22 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.402 0.519 . . . . 7.45 112.402 -173.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -81.11 115.31 20.48 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.098 -0.641 . . . . 11.35 110.244 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.65 -46.19 1.2 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.65 -0.786 . . . . 9.18 112.703 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.923 0.392 . . . . 8.24 110.851 -177.809 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.612 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 32.4 t70 . . . . . 0 C--O 1.227 -0.093 0 CA-C-O 121.079 0.466 . . . . 12.54 109.943 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.444 HD12 ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -53.05 85.34 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 113.813 1.042 . . . . 8.91 113.813 -177.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 2.4 ppt_? -135.68 131.61 35.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 13.88 110.108 173.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 13' ' ' GLY . 46.6 tt0 -75.44 135.09 40.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.947 -0.57 . . . . 8.1 112.04 -172.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.414 ' O ' ' HG2' ' A' ' 12' ' ' GLN . . . -100.39 -172.89 29.71 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.036 -0.825 . . . . 9.68 111.036 172.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.61 -13.55 20.14 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.793 2.329 . . . . 11.51 113.379 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -107.47 -34.48 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 13.85 111.546 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.629 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 2.9 tp10 -74.27 125.81 89.6 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.154 -0.476 . . . . 9.91 110.848 -177.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.36 131.8 31.34 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.491 2.127 . . . . 10.58 111.845 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.524 ' H ' ' HB3' ' A' ' 76' ' ' GLN . 70.4 t80 -45.07 -60.09 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.699 0.629 . . . . 7.07 112.699 -173.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -61.15 -22.76 65.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.668 0.271 . . . . 14.51 111.681 -174.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.03 -43.95 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.78 -0.452 . . . . 11.24 109.78 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.629 ' CD1' ' HG2' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -71.01 -38.73 72.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 7.46 109.888 177.103 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 18' ' ' PHE . 88.1 t -63.96 -25.38 38.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.572 -0.74 . . . . 6.96 110.582 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 36.7 t70 -54.01 -47.34 71.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.324 -0.398 . . . . 11.68 110.856 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -26.76 23.51 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.604 -0.438 . . . . 11.78 110.898 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.444 ' CE2' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -59.38 -37.9 79.15 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.581 0.705 . . . . 7.02 109.864 173.129 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.529 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 67.0 t80 -77.12 -31.42 55.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.431 -0.804 . . . . 11.69 110.065 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 29.6 mmmt -60.16 -49.45 77.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.551 -0.749 . . . . 13.74 111.395 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -65.99 -25.09 66.93 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.872 0.368 . . . . 10.18 110.595 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.431 HD21 ' O ' ' A' ' 25' ' ' PHE . 3.5 mm? -72.93 -25.6 61.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 9.09 110.836 176.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.612 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 24.4 mmm180 -74.72 -21.2 59.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.084 0.469 . . . . 14.84 110.472 178.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.88 -46.95 61.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.065 -0.516 . . . . 12.23 110.621 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 11.6 pt-20 -87.46 46.46 1.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.98 -0.555 . . . . 11.14 111.775 -176.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.6 mm100 -56.38 -19.78 16.34 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.267 0.469 . . . . 11.89 112.267 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.36 -40.37 58.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.124 0.416 . . . . 12.28 112.124 -172.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.651 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 23.8 m -82.6 54.86 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.698 0.258 . . . . 12.31 111.698 -176.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -56.09 -44.45 79.04 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.352 0.501 . . . . 12.57 112.352 -174.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.85 -29.49 70.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.037 0.446 . . . . 14.44 110.829 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.4 t -80.21 -41.79 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.895 -0.593 . . . . 11.92 110.208 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.651 ' HG3' ' O ' ' A' ' 35' ' ' SER . 43.5 mtpt -59.39 -41.14 88.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.705 -0.679 . . . . 9.98 111.795 -175.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -55.67 -47.97 75.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 11.89 110.998 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.04 -27.06 35.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.192 -0.458 . . . . 11.87 111.054 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -72.3 -48.29 43.4 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.993 -0.549 . . . . 9.29 112.105 -176.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 p -57.66 -49.35 76.77 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.088 0.47 . . . . 7.6 111.841 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.01 -34.71 78.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.548 -0.751 . . . . 11.69 111.961 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -87.05 -40.4 14.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.856 0.36 . . . . 11.45 110.988 -177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 1.7 mm? -69.21 -47.37 64.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.597 -0.729 . . . . 8.6 112.418 -174.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 98.5 mt -61.69 -30.56 70.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.117 0.485 . . . . 6.14 110.148 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.439 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 51.0 t -82.03 -37.36 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.551 -0.75 . . . . 9.05 111.174 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -70.55 -46.44 63.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.494 -0.321 . . . . 12.79 110.625 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -87.47 16.2 5.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.043 -0.526 . . . . 8.64 111.573 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . -84.6 166.01 17.51 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.892 -0.41 . . . . 8.36 109.892 174.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.598 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 45.9 t30 -63.86 128.23 92.63 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.174 -0.676 . . . . 9.66 109.174 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.514 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 45.4 Cg_exo -37.35 -53.9 1.25 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.607 2.871 . . . . 12.29 113.677 -177.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.66 -42.16 92.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.475 0.655 . . . . 10.64 110.951 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' A' ' 52' ' ' ASN . 63.8 m -66.46 -44.78 81.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.815 -1.084 . . . . 8.04 111.839 -174.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HD2' ' O ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -75.44 -23.29 56.91 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.254 -0.578 . . . . 10.04 110.398 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.553 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 49.0 m -65.59 -42.01 92.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.438 -0.801 . . . . 12.79 111.487 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.9 pt -75.01 -27.53 20.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 O-C-N 122.132 -0.355 . . . . 11.46 111.452 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 66.4 mt -52.52 -44.22 65.6 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 111.966 0.358 . . . . 11.84 111.966 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 57' ' ' THR . 9.9 ptmm? -73.89 -21.07 60.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 15.11 110.632 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.99 -12.62 60.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.066 -0.516 . . . . 15.64 110.826 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 C--N 1.333 -0.152 0 CA-C-N 116.403 -0.362 . . . . 15.72 110.538 176.175 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.444 ' O ' ' HG2' ' A' ' 71' ' ' MET . 2.9 tm? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.448 0.166 . . . . 12.91 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.0 -25.28 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.208 0.528 . . . . 16.53 109.663 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -64.48 -54.06 38.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.17 -0.923 . . . . 15.56 109.863 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 26.8 ptm -63.47 -30.39 71.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.916 -0.583 . . . . 10.69 110.563 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.487 ' HA ' ' CD2' ' A' ' 18' ' ' PHE . 58.5 ttp -73.83 -48.54 30.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.772 -0.649 . . . . 11.49 110.41 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.8 m -78.54 -38.25 40.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.169 -0.923 . . . . 12.19 112.09 -174.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.473 ' O ' ' HA ' ' A' ' 78' ' ' VAL . . . -66.39 -37.37 85.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.284 0.475 . . . . 9.59 112.284 -173.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 64.2 m -76.88 -32.69 57.65 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.948 0.351 . . . . 7.45 111.948 -175.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.524 ' HB3' ' H ' ' A' ' 18' ' ' PHE . 12.3 pt20 -86.64 116.38 24.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.272 0.558 . . . . 11.35 110.381 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.13 -12.96 58.85 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.141 -0.784 . . . . 9.18 111.141 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 74' ' ' ALA . 58.9 t . . . . . 0 N--CA 1.456 -0.157 0 C-N-CA 123.619 0.768 . . . . 8.24 111.412 -177.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' A' ' 11' ' ' ARG . 25.1 t70 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 121.33 0.586 . . . . 12.54 110.942 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.23 10.54 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 116.204 -0.453 . . . . 8.91 112.033 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.56 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 1.1 ppt_? -70.94 144.84 50.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.107 -0.497 . . . . 13.88 109.908 176.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.51 ' HG3' ' H ' ' A' ' 13' ' ' GLY . 12.0 tp60 -140.56 172.49 12.64 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.133 -0.627 . . . . 8.1 112.471 -170.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.51 ' H ' ' HG3' ' A' ' 12' ' ' GLN . . . -113.3 -177.64 19.48 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 114.977 -1.01 . . . . 9.68 111.449 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 92.2 Cg_endo -78.64 0.8 9.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 11.51 112.279 -178.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -99.25 7.55 45.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.519 -0.764 . . . . 13.85 111.137 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -120.93 128.98 25.51 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.365 -0.38 . . . . 9.91 110.293 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.62 138.01 84.05 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.909 2.406 . . . . 10.58 112.929 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.598 ' HA ' ' CE1' ' A' ' 21' ' ' TYR . 76.6 t80 -45.02 -61.18 1.72 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.651 0.594 . . . . 7.07 111.896 -175.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.95 -15.03 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 14.51 111.784 -172.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.82 -48.41 16.57 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.397 -0.223 . . . . 11.24 110.397 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 18' ' ' PHE . 28.5 p90 -81.08 -17.16 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.504 0.668 . . . . 7.46 111.107 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 18' ' ' PHE . 99.2 t -78.49 -24.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 115.571 -0.741 . . . . 6.96 109.403 172.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.74 -39.84 84.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.282 0.563 . . . . 11.68 109.918 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.57 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -72.6 -37.92 67.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.296 -0.865 . . . . 11.78 109.512 178.653 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.568 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 36.3 t80 -62.46 -32.67 73.59 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.183 -0.917 . . . . 7.02 110.782 175.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -84.18 -19.02 34.77 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.853 -0.339 . . . . 11.69 110.757 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HD2' ' HA ' ' A' ' 24' ' ' ARG . 11.4 ptmt -75.67 -25.06 56.44 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.087 0.47 . . . . 13.74 109.986 -176.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.569 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 7.7 t -85.1 -29.53 24.78 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.092 -0.504 . . . . 10.18 110.021 172.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 80.8 mt -73.44 -36.2 65.87 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.295 -0.411 . . . . 9.09 110.981 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -69.57 -23.76 63.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.281 0.562 . . . . 14.84 110.055 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.03 -56.23 5.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.405 -0.816 . . . . 12.23 109.939 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.6 pt-20 -87.93 39.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.166 0.507 . . . . 11.14 110.556 176.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -68.14 -8.98 43.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 11.89 111.834 -175.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.37 -56.66 18.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 12.28 110.788 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -83.89 97.69 9.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.035 0.445 . . . . 12.31 110.558 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -72.43 -26.13 61.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.986 0.422 . . . . 12.57 110.574 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.03 -40.29 87.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.674 . . . . 14.44 111.038 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.6 t -68.85 -39.85 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.18 -0.464 . . . . 11.92 110.502 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -61.34 -44.26 97.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.117 0.484 . . . . 9.98 110.697 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -58.01 -49.08 78.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.5 -0.773 . . . . 11.89 110.926 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.27 85.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.077 -0.51 . . . . 11.87 110.988 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -65.17 -50.65 65.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.964 -0.562 . . . . 9.29 111.439 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 p -57.6 -33.17 67.93 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.542 0.571 . . . . 7.6 112.542 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -85.12 -59.64 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.452 0.538 . . . . 11.69 112.452 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.7 m -83.91 -36.75 23.1 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.391 0.515 . . . . 11.45 112.391 -172.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.431 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 2.7 tm? -88.15 -39.69 14.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.309 -0.405 . . . . 8.6 111.096 -171.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.48 HD12 ' CD1' ' A' ' 25' ' ' PHE . 63.8 tp -62.69 -37.33 86.01 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.905 0.383 . . . . 6.14 111.14 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.7 -26.6 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.074 0.464 . . . . 9.05 110.305 176.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -66.87 -48.83 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.978 -0.555 . . . . 12.79 110.773 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.473 ' OD1' ' HA ' ' A' ' 47' ' ' LEU . 3.2 p-10 -78.59 1.06 23.89 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.239 -0.437 . . . . 8.64 111.336 -177.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.45 153.31 21.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.624 -0.51 . . . . 8.36 109.624 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.486 ' HB2' ' HA2' ' A' ' 13' ' ' GLY . 8.7 t30 -66.87 137.12 94.66 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.125 -0.489 . . . . 9.66 109.884 176.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -37.09 -49.61 1.58 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 124.081 3.187 . . . . 12.29 114.136 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -63.42 -29.45 70.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.046 0.451 . . . . 10.64 111.772 -174.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 14' ' ' PRO . 24.8 m -83.48 -42.89 16.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.805 -0.634 . . . . 8.04 111.181 -177.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -77.19 -34.78 56.15 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.292 -0.413 . . . . 10.04 111.714 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.3 t -56.59 -32.34 65.14 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.374 -0.376 . . . . 12.79 111.395 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.5 pt -85.6 -38.13 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.718 -0.393 . . . . 11.46 110.985 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.9 mt -50.68 -46.36 58.66 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.027 0.38 . . . . 11.84 112.027 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -71.03 -25.22 62.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.294 -0.412 . . . . 15.11 111.475 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.41 -33.09 23.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.132 0.492 . . . . 15.64 110.397 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.639 -0.71 . . . . 15.72 111.473 179.114 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.643 0.258 . . . . 12.91 110.381 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 9.3 pt-20 -60.49 -42.24 95.91 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.392 0.516 . . . . 16.53 112.392 -174.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 11.4 pt-20 -84.95 -20.66 30.28 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.311 -0.556 . . . . 15.56 111.765 -172.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.8 ptp -84.95 -30.56 24.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.827 -0.434 . . . . 10.69 109.827 173.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.3 ttp -64.97 -51.25 62.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.74 -0.663 . . . . 11.49 109.975 175.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.3 m -66.28 -22.88 66.31 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.144 -0.935 . . . . 12.19 110.913 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.48 -28.57 52.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.021 -0.536 . . . . 9.59 111.98 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.44 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 65.8 m -97.24 -13.17 22.18 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.844 0.312 . . . . 7.45 111.844 -175.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -80.09 116.64 20.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.279 0.562 . . . . 11.35 109.934 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.51 58.59 9.05 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.858 -0.687 . . . . 9.18 111.784 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 109.547 -0.538 . . . . 8.24 109.547 179.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 CA--C 1.519 -0.225 0 N-CA-C 111.079 0.029 . . . . 12.54 111.079 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 32.15 58.33 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 124.335 1.054 . . . . 8.91 113.167 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -135.26 163.72 29.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.288 0.566 . . . . 13.88 111.401 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.466 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 8.2 tt0 -97.62 136.36 38.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.938 -1.028 . . . . 8.1 110.707 -175.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.41 -170.98 25.83 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.254 -0.738 . . . . 9.68 111.254 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.85 -20.55 39.19 Favored 'Trans proline' 0 CA--C 1.527 0.159 0 C-N-CA 122.522 2.148 . . . . 11.51 113.004 -176.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -119.29 8.77 11.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.524 -0.307 . . . . 13.85 111.31 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -98.0 124.07 48.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.337 -0.392 . . . . 9.91 110.625 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.93 148.69 58.03 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.469 2.113 . . . . 10.58 112.506 176.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.519 ' HB2' ' HB2' ' A' ' 75' ' ' CYS . 50.7 t80 -51.45 -60.73 2.81 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.777 0.322 . . . . 7.07 111.427 -178.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -66.11 -2.19 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 14.51 112.288 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.565 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 12.5 t70 -89.32 -54.84 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.582 -0.525 . . . . 11.24 109.582 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -74.26 -28.92 61.44 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.625 -0.43 . . . . 7.46 110.263 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.489 HG22 ' CE1' ' A' ' 18' ' ' PHE . 66.2 t -65.35 -27.63 42.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.312 0.577 . . . . 6.96 109.557 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.565 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 2.4 t70 -62.48 -45.11 94.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.511 -0.768 . . . . 11.68 109.565 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 20' ' ' ASP . 5.5 mpt_? -67.22 -49.13 65.66 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.197 -0.91 . . . . 11.78 108.942 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.55 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 59.2 t80 -53.52 -34.38 57.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.713 -1.13 . . . . 7.02 111.77 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -87.67 -43.06 12.21 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 120.942 0.401 . . . . 11.69 110.363 -171.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -82.55 -20.64 36.2 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.467 -0.493 . . . . 13.74 111.522 -173.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.9 p -81.57 -29.42 33.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 10.18 109.827 172.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -61.53 -36.12 79.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.398 -0.819 . . . . 9.09 109.328 177.45 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -78.28 -20.78 50.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.364 -0.834 . . . . 14.84 110.41 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.06 -36.22 59.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 12.23 110.732 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.42 -154.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 11.14 109.844 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -59.84 104.87 0.33 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.473 0.654 . . . . 11.89 111.18 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.36 -19.46 60.43 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.691 -1.141 . . . . 12.28 112.094 -176.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -49.52 108.83 0.22 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.225 0.535 . . . . 12.31 111.161 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.503 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . 78.5 mt-30 -70.81 -25.04 62.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.565 -0.743 . . . . 12.57 112.437 -171.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -49.08 -45.41 43.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.354 0.501 . . . . 14.44 112.354 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.8 t -87.16 -36.25 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.4 0.619 . . . . 11.92 110.37 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -71.73 -38.49 70.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.369 -0.832 . . . . 9.98 112.705 -170.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.503 ' ND2' ' HB3' ' A' ' 36' ' ' GLN . 94.2 m-20 -61.51 -48.63 80.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.561 0.22 . . . . 11.89 110.657 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.85 -31.89 71.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 11.87 111.061 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.34 -61.0 2.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.266 -0.425 . . . . 9.29 111.069 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.8 p -50.2 -38.29 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.57 0.952 . . . . 7.6 113.57 -172.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -52.15 -58.08 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.661 0.267 . . . . 11.69 111.66 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 p -84.57 -29.29 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.967 0.413 . . . . 11.45 111.826 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.49 -35.84 79.93 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.376 -0.375 . . . . 8.6 110.807 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.45 HD13 HG21 ' A' ' 22' ' ' VAL . 54.3 tp -65.7 -44.62 85.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.546 0.212 . . . . 6.14 111.291 -178.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 34.9 m -71.3 -28.39 32.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-O 120.89 0.376 . . . . 9.05 110.796 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -71.13 -21.46 62.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.11 -0.495 . . . . 12.79 110.671 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -95.81 20.48 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.015 -0.539 . . . . 8.64 111.37 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.466 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -93.61 -179.42 5.02 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.305 -0.558 . . . . 8.36 109.89 177.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.575 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 17.8 t-20 -76.01 139.9 69.69 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.604 -0.517 . . . . 9.66 109.604 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -38.92 -52.91 2.08 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.25 2.634 . . . . 12.29 113.211 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.608 ' O ' ' HB ' ' A' ' 57' ' ' THR . 5.1 t70 -69.29 -39.16 78.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 10.64 110.431 -177.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.611 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 81.0 m -64.19 -43.85 93.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.416 -0.811 . . . . 8.04 110.806 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 4.7 mtpm? -60.82 -38.86 86.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.414 0.626 . . . . 10.04 109.416 175.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.608 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 85.5 m -55.01 -41.56 71.43 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.436 -1.256 . . . . 12.79 111.845 178.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.587 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 43.9 pt -86.4 -36.19 10.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 121.028 -0.269 . . . . 11.46 111.236 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 55.0 mt -55.71 -40.66 72.72 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.534 -0.303 . . . . 11.84 111.764 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -73.51 -19.01 61.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.893 0.378 . . . . 15.11 111.159 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.29 -41.78 19.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.345 -0.389 . . . . 15.64 110.964 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 1.9 pp . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 111.984 0.364 . . . . 15.72 111.984 -176.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tm? . . . . . 0 CA--C 1.533 0.303 0 CA-C-O 120.903 0.383 . . . . 12.91 110.539 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.86 -29.58 61.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.48 -0.327 . . . . 16.53 111.795 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.83 -48.13 55.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.343 0.592 . . . . 15.56 109.798 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.422 ' HB2' HD21 ' A' ' 59' ' ' LEU . 27.2 ptm -66.66 -23.54 66.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.211 -0.904 . . . . 10.69 110.321 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 40.2 ttm -65.41 -47.1 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.708 -0.678 . . . . 11.49 109.777 173.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.7 m -66.29 -34.72 78.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.257 -0.883 . . . . 12.19 110.882 176.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 78' ' ' VAL . . . -59.68 -38.65 82.1 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.477 0.547 . . . . 9.59 112.477 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 54.1 m -81.01 -41.99 21.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.736 0.303 . . . . 7.45 111.51 -176.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -71.3 116.08 11.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.176 0.512 . . . . 11.35 110.042 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.93 5.61 61.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.995 -0.621 . . . . 9.18 111.735 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 74' ' ' ALA . 36.7 t . . . . . 0 C--O 1.235 0.297 0 C-N-CA 123.812 0.845 . . . . 8.24 111.623 -176.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.743 0.306 . . . . 21.1 111.045 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -90.51 27.98 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.235 0.541 . . . . 22.21 111.314 -174.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.48 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 31.2 t -140.64 58.67 10.27 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.944 -0.571 . . . . 17.6 109.795 174.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 3' ' ' SER . 74.5 Cg_endo -95.34 -161.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 122.96 2.44 . . . . 16.38 112.52 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.4 m -66.74 -18.79 65.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.013 0.435 . . . . 15.87 110.667 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -56.21 -21.07 21.0 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.869 -0.605 . . . . 13.69 111.611 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.6 mm -75.55 -26.74 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.349 0.595 . . . . 12.44 110.372 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mp -83.91 -18.82 36.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 13.42 110.049 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -91.59 -43.85 9.4 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.313 -0.858 . . . . 12.54 111.942 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.47 HG13 ' HB2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER 33.27 29.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 116.028 1.862 . . . . 8.91 116.028 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.546 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -72.11 132.88 44.79 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 119.321 0.964 . . . . 13.88 110.371 -179.274 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 21' ' ' TYR . 44.2 tt0 -63.82 129.18 39.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.986 -1.006 . . . . 8.1 111.724 -176.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.85 154.25 30.55 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.638 -0.985 . . . . 9.68 110.638 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.88 -23.06 48.93 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.762 2.308 . . . . 11.51 113.616 -174.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -91.73 -12.51 33.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.842 0.353 . . . . 13.85 110.892 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 4.2 tp10 -88.81 131.42 41.56 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.072 -0.513 . . . . 9.91 111.116 -169.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HA ' ' H ' ' A' ' 77' ' ' GLY . 19.4 Cg_endo -63.78 128.55 22.37 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.966 1.777 . . . . 10.58 111.178 171.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.515 ' O ' HG23 ' A' ' 22' ' ' VAL . 72.0 t80 -43.62 -61.36 1.42 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.829 0.706 . . . . 7.07 112.724 -172.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HB3' HE21 ' A' ' 76' ' ' GLN . 9.5 tpt180 -64.56 -17.75 64.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.004 0.372 . . . . 14.51 112.004 -173.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . 16.6 t70 -78.02 -39.02 43.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.35 . . . . 11.24 110.299 -178.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.531 ' CD2' ' HD3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -79.76 -32.37 41.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.511 -0.551 . . . . 7.46 109.511 176.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 18' ' ' PHE . 94.4 t -65.35 -26.27 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.915 -0.584 . . . . 6.96 110.106 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -58.88 -40.12 83.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 11.68 111.685 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.689 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -84.53 -19.22 33.55 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.128 -0.629 . . . . 11.78 110.163 -177.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.47 ' HB2' HG13 ' A' ' 10' ' ' ILE . 88.2 t80 -69.14 -33.91 74.18 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.753 -0.832 . . . . 7.02 108.753 168.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -73.22 -28.07 61.96 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.149 -0.932 . . . . 11.69 109.365 -175.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.689 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 16.2 ptmt -75.04 -24.02 58.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.593 -0.73 . . . . 13.74 110.217 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.646 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 30.4 p -84.51 -35.61 22.8 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.204 -0.665 . . . . 10.18 109.204 174.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 tp -67.61 -34.04 76.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.347 -0.842 . . . . 9.09 110.219 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -72.73 -25.84 61.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.58 -0.736 . . . . 14.84 110.681 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.0 -57.69 2.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.858 -0.61 . . . . 12.23 111.42 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' ' 28' ' ' THR . 14.3 pt-20 -88.23 38.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.916 0.389 . . . . 11.14 111.837 -175.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -84.01 41.53 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.22 0.533 . . . . 11.89 111.816 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.88 -63.1 1.43 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.997 -0.547 . . . . 12.28 110.116 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.8 t -83.59 73.5 10.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 12.31 110.169 175.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.74 -31.19 68.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.484 . . . . 12.57 110.242 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.03 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.424 -0.807 . . . . 14.44 111.8 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.2 t -84.13 -34.75 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.019 0.438 . . . . 11.92 109.835 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.511 ' HE2' ' O ' ' A' ' 32' ' ' GLU . 44.9 mmtm -61.7 -52.48 64.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.6 . . . . 9.98 111.167 -178.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.431 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 8.7 t30 -60.87 -44.3 97.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.651 -0.25 . . . . 11.89 110.792 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.79 76.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 11.87 110.728 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.2 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.121 -0.491 . . . . 9.29 110.565 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 39' ' ' LYS . 66.2 p -48.54 -33.33 9.4 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.869 0.692 . . . . 7.6 112.869 -175.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 40' ' ' ASN . 45.5 mt-10 -55.09 -58.43 7.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.114 0.483 . . . . 11.69 111.236 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.9 t -85.07 -26.75 26.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.82 -0.627 . . . . 11.45 110.997 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.53 -57.6 8.71 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 116.089 -0.505 . . . . 8.6 111.418 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.429 HD23 ' CE2' ' A' ' 25' ' ' PHE . 3.4 mm? -64.49 -30.9 71.93 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.35 0.5 . . . . 6.14 112.35 -174.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.546 ' O ' ' HE2' ' A' ' 56' ' ' LYS . 35.6 m -77.55 -33.25 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.304 -0.558 . . . . 9.05 110.892 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -80.27 -22.73 41.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.741 . . . . 12.79 110.112 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.546 ' ND2' ' HA ' ' A' ' 11' ' ' ARG . 23.7 t-20 -69.16 -17.62 63.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.865 -1.062 . . . . 8.64 111.028 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -77.12 157.51 30.97 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.087 -0.506 . . . . 8.36 110.521 -175.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -69.66 145.51 95.01 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 108.382 -0.97 . . . . 9.66 108.382 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -37.76 -49.38 2.01 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.602 2.868 . . . . 12.29 113.644 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.65 -38.21 90.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.341 0.591 . . . . 10.64 111.192 -176.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.6 t -67.06 -49.13 66.16 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.065 -0.97 . . . . 8.04 112.285 -175.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.546 ' HE2' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -69.17 -29.06 66.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.746 -0.596 . . . . 10.04 110.033 178.149 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.2 m -61.0 -44.97 96.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.257 -0.883 . . . . 12.79 111.404 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.713 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.7 pt -73.44 -37.75 51.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.602 -0.439 . . . . 11.46 111.192 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.3 mt -46.73 -48.5 20.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.976 0.417 . . . . 11.84 111.72 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -79.59 -18.55 51.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.052 -0.522 . . . . 15.11 111.521 -177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.47 -42.78 19.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.801 0.334 . . . . 15.64 111.085 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 1.7 pp -101.98 1.09 36.25 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.9 0.333 . . . . 15.72 111.9 -176.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.501 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -43.13 -52.99 5.74 Favored Glycine 0 CA--C 1.526 0.762 0 O-C-N 123.865 0.728 . . . . 16.17 114.053 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 63' ' ' GLY . 9.7 Cg_endo -54.59 -36.77 90.09 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.973 2.449 . . . . 18.15 113.662 177.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.65 -4.47 59.19 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.814 -0.708 . . . . 15.85 112.299 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.447 ' HB3' ' N ' ' A' ' 71' ' ' MET . . . -121.76 108.06 13.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.953 0.406 . . . . 14.46 110.447 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.5 m -60.11 -73.22 0.09 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.562 -0.745 . . . . 15.82 112.55 -175.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -148.46 -54.64 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.133 0.492 . . . . 12.91 109.708 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -76.03 -28.48 57.74 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.057 -0.72 . . . . 16.53 109.057 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -65.43 -47.5 76.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.896 -1.047 . . . . 15.56 110.619 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.447 ' N ' ' HB3' ' A' ' 66' ' ' ALA . 17.0 ptp -69.48 -27.99 65.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.96 0.41 . . . . 10.69 110.291 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.443 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 59.6 ttp -69.76 -43.06 73.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 11.49 109.906 176.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.8 m -69.57 -33.12 72.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.54 -0.755 . . . . 12.19 110.445 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.68 -35.25 74.09 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.869 -0.605 . . . . 9.59 111.066 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 70.2 m -95.12 -4.4 46.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.881 -0.599 . . . . 7.45 111.293 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.468 HE21 ' HB3' ' A' ' 19' ' ' ARG . 92.8 mt-30 -80.4 114.67 19.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.136 -0.69 . . . . 11.35 109.136 171.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.483 ' H ' ' HA ' ' A' ' 17' ' ' PRO . . . 63.09 68.3 1.72 Allowed Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.708 -0.758 . . . . 9.18 111.438 -174.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.9 t -57.42 102.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-O 120.811 0.339 . . . . 8.24 110.689 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.86 16.24 67.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.05 -0.595 . . . . 10.49 112.131 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.412 ' HA3' ' CG ' ' A' ' 83' ' ' HIS . . . 75.38 116.74 0.11 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.548 -0.358 . . . . 10.68 112.427 -176.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -56.69 -44.3 46.63 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.849 2.366 . . . . 12.52 112.397 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -106.68 16.86 39.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 11.58 111.868 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.412 ' CG ' ' HA3' ' A' ' 80' ' ' GLY . 14.4 m-70 -90.34 148.5 22.81 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.04 0.447 . . . . 11.24 110.042 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -82.49 -12.42 57.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.893 -0.594 . . . . 12.52 109.453 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.504 ' O ' ' HG ' ' A' ' 88' ' ' LEU . . . -58.24 -42.62 86.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.685 -1.143 . . . . 9.36 110.792 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.63 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 5.3 ptp180 -67.7 -34.6 77.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.167 -0.469 . . . . 11.22 110.913 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 49.1 t -71.8 -33.65 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.437 0.637 . . . . 8.17 110.043 -173.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 85' ' ' ALA . 4.0 pp -82.3 -34.53 28.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.39 -0.823 . . . . 9.0 109.541 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.02 77.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.657 -0.701 . . . . 7.69 110.735 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.63 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 52.5 mt-10 -65.67 -31.74 72.93 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.968 0.413 . . . . 8.34 110.42 177.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.6 -35.44 30.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.26 0.552 . . . . 7.39 110.202 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.469 ' HE1' ' HA ' ' A' ' 92' ' ' MET . 4.3 mmt -66.33 -41.66 89.29 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.346 -0.843 . . . . 10.64 110.339 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.9 t -64.42 -38.87 92.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.905 -0.589 . . . . 9.14 110.111 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.457 ' HA ' HG21 ' A' ' 100' ' ' THR . 62.2 tt0 -61.67 -43.51 98.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.703 -0.68 . . . . 9.09 111.833 -173.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.2 p -76.68 -25.21 15.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.915 0.388 . . . . 10.49 111.19 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.8 m -83.72 -50.92 7.69 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.168 0.433 . . . . 12.05 112.168 -174.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -114.98 136.82 22.63 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.23 0.538 . . . . 11.63 111.305 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.623 ' O ' HG12 ' A' ' 101' ' ' ILE . 71.2 Cg_endo -75.46 -0.99 10.76 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.134 2.556 . . . . 13.14 112.555 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.53 62.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.163 0.506 . . . . 11.54 110.705 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.457 HG21 ' HA ' ' A' ' 94' ' ' GLN . 8.7 p -76.39 -25.17 54.3 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.769 -0.65 . . . . 10.92 111.28 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.623 HG12 ' O ' ' A' ' 98' ' ' PRO . 35.6 pt -79.96 -28.19 12.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.475 -0.49 . . . . 12.82 110.039 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.3 tpt -69.05 -43.37 74.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.962 -0.563 . . . . 13.52 109.846 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 17.2 tt -75.51 -18.51 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.267 0.556 . . . . 11.63 109.803 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.42 -41.48 66.17 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.239 -0.652 . . . . 12.18 109.239 175.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -69.07 -40.42 78.48 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.717 -0.475 . . . . 14.52 109.717 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.34 -21.47 66.46 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.533 -0.758 . . . . 12.13 112.453 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -61.35 -22.36 64.85 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.064 0.459 . . . . 12.5 110.721 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -66.98 -25.21 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 15.06 110.43 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -79.89 -27.17 40.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.071 -0.513 . . . . 15.55 109.983 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -83.21 140.49 32.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.619 -0.719 . . . . 14.34 110.606 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -82.04 86.35 6.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.161 0.505 . . . . 14.49 110.183 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -83.82 20.86 1.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.681 -0.69 . . . . 15.04 110.714 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 25.5 tptt -81.28 12.11 3.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.766 -0.652 . . . . 12.69 111.329 -175.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.3 m -77.14 -14.83 59.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.314 0.578 . . . . 11.01 110.438 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.12 -30.63 50.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.512 -0.767 . . . . 11.73 111.784 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 22.3 pttp -61.68 124.95 22.14 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.302 0.572 . . . . 11.01 110.392 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 125' ' ' HIS . 4.6 t -64.97 108.9 1.93 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.079 -0.964 . . . . 8.23 110.546 -171.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -72.94 65.12 0.73 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.767 -0.651 . . . . 8.32 112.01 -175.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 176.1 -32.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.378 -0.828 . . . . 9.46 109.176 175.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 17.4 m -99.38 -22.38 15.57 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.978 -0.555 . . . . 9.56 110.82 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.95 -32.23 7.7 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.858 -0.687 . . . . 9.05 113.753 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -109.68 163.01 13.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.946 0.373 . . . . 13.0 110.934 -173.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 9.5 pt-20 -88.42 25.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 12.54 111.446 -177.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.57 -22.05 78.69 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.79 -0.719 . . . . 11.87 111.468 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.469 ' HB2' ' SG ' ' A' ' 117' ' ' CYS . 1.9 m80 -131.06 -171.13 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.056 -0.72 . . . . 12.65 109.056 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 126' ' ' ILE . 0.1 OUTLIER -132.47 129.04 58.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 108.432 -0.951 . . . . 12.52 108.432 171.221 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -58.57 -19.03 34.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.075 -0.511 . . . . 9.79 112.258 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.426 ' HG3' ' OD1' ' A' ' 129' ' ' ASN . 18.4 ptpt -73.52 -24.6 60.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.568 -0.287 . . . . 13.48 111.391 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.426 ' OD1' ' HG3' ' A' ' 128' ' ' LYS . 6.1 m-20 -117.24 -18.75 9.87 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.005 0.431 . . . . 15.0 111.047 -176.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 43.9 t -88.58 100.36 13.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.116 0.484 . . . . 11.89 110.969 -176.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -98.49 100.96 12.26 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.926 -0.579 . . . . 17.97 109.629 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -151.41 117.69 3.23 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.763 -0.653 . . . . 12.57 110.824 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.63 70.79 2.65 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 123.006 2.47 . . . . 14.02 111.623 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -74.18 -74.1 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.647 -0.706 . . . . 12.91 109.814 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' A' ' 137' ' ' GLY . 9.3 pttp -149.32 -167.41 2.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.663 . . . . 10.43 110.064 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 135' ' ' LYS . 45.3 mmtm 73.42 -30.52 0.21 Allowed 'General case' 0 C--O 1.232 0.16 0 O-C-N 124.373 1.046 . . . . 11.97 111.283 -175.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 135' ' ' LYS . . . 87.92 -126.53 8.1 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.053 -0.594 . . . . 9.91 112.013 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 145' ' ' GLY . 1.4 t -78.92 116.19 19.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.718 0.294 . . . . 12.01 110.756 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -95.8 -9.32 31.95 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.145 -0.687 . . . . 11.32 109.145 175.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -79.71 -54.82 5.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.119 -0.946 . . . . 16.43 112.146 -168.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 1.8 p -123.02 -19.22 6.15 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.418 -0.513 . . . . 14.15 111.433 -173.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -105.41 -44.79 1.41 Allowed Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.337 -0.935 . . . . 12.26 111.593 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? 71.82 -63.36 0.43 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.712 0.805 . . . . 16.11 110.257 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -85.19 -9.22 58.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.045 -0.525 . . . . 14.2 111.233 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.489 ' O ' ' HB3' ' A' ' 138' ' ' CYS . . . -166.19 -160.16 13.06 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.324 -0.941 . . . . 13.35 113.124 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 138' ' ' CYS . 25.6 t-80 77.72 144.87 0.08 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.671 1.189 . . . . 15.6 111.077 -175.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -76.49 115.54 16.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.611 -0.722 . . . . 15.61 110.842 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -18.19 65.19 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.387 0.514 . . . . 13.85 112.387 -177.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -81.96 -23.73 35.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.289 . . . . 16.38 111.175 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.82 20.21 18.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.204 0.526 . . . . 17.63 110.581 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 4.8 t -102.24 85.02 2.57 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.731 -0.668 . . . . 16.07 109.818 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 11.5 t -91.75 130.91 37.45 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.367 -0.605 . . . . 19.18 109.367 176.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.98 109.13 4.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.025 -0.534 . . . . 19.35 110.583 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -141.1 115.64 9.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.082 -0.508 . . . . 23.86 110.234 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 57.7 38.14 27.48 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.606 0.717 . . . . 22.71 110.666 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -137.33 -65.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.88 -0.6 . . . . 23.3 110.364 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.304 -0.855 . . . . 24.49 109.3 178.305 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.859 0.361 . . . . 21.1 110.583 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -155.54 104.6 2.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.72 -0.474 . . . . 22.21 109.72 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 m -123.76 94.45 45.99 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.031 -0.531 . . . . 17.6 110.692 -177.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.18 168.83 22.21 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.635 2.223 . . . . 16.38 112.356 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 m -63.94 -23.2 67.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 15.87 111.49 -177.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -57.43 -17.58 13.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 13.69 111.939 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.537 ' O ' HG22 ' A' ' 10' ' ' ILE . 68.0 mt -79.88 -36.0 16.7 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 CA-C-O 121.022 0.439 . . . . 12.44 110.617 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 8' ' ' LEU . 6.4 mp -83.19 -19.49 36.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.662 0.744 . . . . 13.42 109.676 177.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 11' ' ' ARG . 16.0 t70 -105.97 28.42 7.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.899 -1.046 . . . . 12.54 110.849 -174.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.537 HG22 ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -66.64 40.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 113.62 0.97 . . . . 8.91 113.62 -178.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HG2' ' OD1' ' A' ' 50' ' ' ASN . 81.7 mtt180 -76.34 150.44 36.87 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.127 -1.064 . . . . 13.88 108.127 172.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -127.69 157.13 41.12 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.089 -1.044 . . . . 8.1 113.36 -171.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.424 ' HA2' ' HB2' ' A' ' 52' ' ' ASN . . . -109.96 -172.69 20.42 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 114.2 -1.364 . . . . 9.68 111.205 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.67 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 93.8 Cg_endo -86.96 22.59 0.92 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.854 2.369 . . . . 11.51 112.942 -173.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.81 4.58 11.0 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.834 -0.346 . . . . 13.85 111.524 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.54 130.06 31.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 112.186 0.439 . . . . 9.91 112.186 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.09 146.1 51.22 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.369 2.046 . . . . 10.58 110.123 165.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.466 ' CG ' ' HA ' ' A' ' 72' ' ' MET . 82.4 t80 -45.57 -59.13 2.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.393 0.516 . . . . 7.07 112.393 -174.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.48 ' HD2' ' N ' ' A' ' 20' ' ' ASP . 6.6 ppt_? -58.63 -19.52 39.7 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.864 0.69 . . . . 14.51 112.864 -176.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.48 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 37.2 t70 -87.94 -42.22 12.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.324 0.583 . . . . 11.24 109.742 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -46.51 85.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 7.46 109.442 173.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.75 -29.69 47.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.162 -0.927 . . . . 6.96 111.241 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.09 -46.9 72.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 11.68 111.875 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -31.87 23.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.747 0.308 . . . . 11.78 110.386 -178.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.431 ' CD2' HD21 ' A' ' 47' ' ' LEU . 90.4 t80 -67.4 -29.97 69.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.445 -0.343 . . . . 7.02 110.88 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -75.1 -24.32 58.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.463 0.649 . . . . 11.69 109.476 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -62.95 -28.96 70.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.036 -0.984 . . . . 13.74 110.811 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -70.25 -34.83 73.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.096 0.474 . . . . 10.18 110.107 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.58 -26.97 67.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.714 -0.675 . . . . 9.09 110.793 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -80.1 -27.78 39.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.053 -0.521 . . . . 14.84 110.299 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.44 -24.91 27.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.735 -0.666 . . . . 12.23 111.89 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -86.02 -167.28 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 11.14 110.789 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -62.02 150.77 37.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.213 0.53 . . . . 11.89 110.352 175.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.93 -20.42 49.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.623 -0.717 . . . . 12.28 111.955 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.3 m -50.47 107.25 0.15 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.676 0.61 . . . . 12.31 111.814 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -74.1 -27.84 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.871 -0.604 . . . . 12.57 111.436 -176.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.38 -32.64 70.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.433 -0.349 . . . . 14.44 111.167 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.4 -36.57 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.37 -0.377 . . . . 11.92 110.374 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.68 -46.78 83.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.885 -0.598 . . . . 9.98 111.391 -175.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -63.42 -36.3 83.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.377 -0.374 . . . . 11.89 111.556 -176.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.04 -28.85 43.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.086 0.47 . . . . 11.87 110.916 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.38 -60.43 2.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 9.29 111.289 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 p -57.83 -31.18 66.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.866 -0.606 . . . . 7.6 112.484 -173.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 45' ' ' THR . 9.4 pt-20 -55.43 -49.19 73.05 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 121.002 -0.279 . . . . 11.69 110.96 -176.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 8.9 t -87.24 -35.51 18.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.074 0.464 . . . . 11.45 110.823 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -69.4 -36.87 77.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 8.6 111.456 -172.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.431 HD21 ' CD2' ' A' ' 25' ' ' PHE . 3.5 tm? -66.66 -47.33 72.83 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.775 0.321 . . . . 6.14 110.21 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.714 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 34.9 m -72.25 -27.08 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.991 0.424 . . . . 9.05 111.767 -176.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.525 ' HA ' ' NZ ' ' A' ' 56' ' ' LYS . 14.8 mm100 -76.64 -19.34 57.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.66 0.266 . . . . 12.79 111.4 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.423 ' OD1' ' HG2' ' A' ' 11' ' ' ARG . 14.2 t30 -96.81 10.76 37.94 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.175 -0.466 . . . . 8.64 111.546 -174.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.09 178.11 4.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.916 0.389 . . . . 8.36 110.982 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.424 ' HB2' ' HA2' ' A' ' 13' ' ' GLY . 22.5 t-20 -71.56 141.9 85.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.813 -0.63 . . . . 9.66 110.469 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -37.12 -50.51 1.56 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.547 2.832 . . . . 12.29 113.516 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' A' ' 57' ' ' THR . 10.8 t70 -65.07 -45.17 86.42 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.272 0.558 . . . . 10.64 111.034 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.67 ' SG ' ' HA ' ' A' ' 14' ' ' PRO . 58.4 m -64.31 -36.0 82.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.289 -0.868 . . . . 8.04 111.185 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.714 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 16.0 mtpp -70.58 -40.92 73.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.588 0.708 . . . . 10.04 109.311 175.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 18.4 m -54.03 -53.23 55.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.36 -1.291 . . . . 12.79 112.332 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.631 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 26.5 pt -57.53 -40.45 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.834 0.309 . . . . 11.46 111.834 -177.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.492 HD23 ' SG ' ' A' ' 75' ' ' CYS . 73.0 mt -59.57 -47.21 86.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.028 0.442 . . . . 11.84 111.157 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -80.31 -20.5 44.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.188 -0.46 . . . . 15.11 110.632 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.88 -13.19 59.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 15.64 111.006 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 66.1 mt -68.8 -34.85 76.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.084 0.469 . . . . 15.72 110.364 175.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.27 -74.89 0.43 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.82 -0.705 . . . . 16.17 112.336 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -69.77 -8.45 23.63 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.72 2.28 . . . . 18.15 112.701 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.81 3.08 71.24 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.667 -0.778 . . . . 15.85 111.996 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.409 ' HA ' ' HB2' ' A' ' 70' ' ' GLU . . . 68.23 106.06 0.05 Allowed 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 121.391 0.615 . . . . 14.46 111.443 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -72.16 -72.06 0.25 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 15.82 111.611 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -143.67 -63.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.152 -0.343 . . . . 12.91 110.298 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -70.24 -24.09 63.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.404 0.621 . . . . 16.53 109.961 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 66' ' ' ALA . 14.1 mt-10 -67.48 -49.0 65.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.201 -0.909 . . . . 15.56 110.196 178.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.8 ptp -68.97 -27.36 65.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 10.69 110.341 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.466 ' HA ' ' CG ' ' A' ' 18' ' ' PHE . 47.4 ttm -64.96 -51.98 58.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.122 0.487 . . . . 11.49 109.85 176.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.4 m -63.81 -28.97 70.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.262 -0.881 . . . . 12.19 111.15 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.2 20.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.67 -0.696 . . . . 9.59 111.682 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.492 ' SG ' HD23 ' A' ' 59' ' ' LEU . 72.0 m -87.58 10.63 17.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.995 0.369 . . . . 7.45 111.995 -176.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -104.78 123.27 47.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.378 -0.601 . . . . 11.35 109.378 173.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.7 17.21 76.47 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.662 -0.78 . . . . 9.18 111.915 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.78 117.48 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.299 0.571 . . . . 8.24 110.561 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.11 -4.58 77.93 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.874 -0.679 . . . . 10.49 111.879 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.43 130.99 41.23 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.874 -0.679 . . . . 10.68 111.498 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.38 75.94 0.51 Allowed 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.075 2.517 . . . . 12.52 112.985 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.65 65.42 2.9 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 116.003 -0.544 . . . . 11.58 112.294 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -79.14 74.6 5.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.723 0.773 . . . . 11.24 110.067 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.501 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 55.6 pttt -114.52 -6.48 12.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.264 -0.88 . . . . 12.52 111.608 -176.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.37 -30.56 70.61 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.776 0.322 . . . . 9.36 111.806 -172.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -42.9 52.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.397 -0.365 . . . . 11.22 110.753 -176.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.86 -31.17 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.878 -0.329 . . . . 8.17 111.015 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 84' ' ' LYS . 75.7 mt -69.25 -53.4 20.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.381 -0.372 . . . . 9.0 110.608 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.7 -30.17 67.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.127 0.489 . . . . 7.69 110.409 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.72 -54.16 31.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.618 -0.719 . . . . 8.34 111.165 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.429 ' O ' HG22 ' A' ' 95' ' ' VAL . . . -78.37 -36.81 45.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.202 -0.453 . . . . 7.39 110.935 -171.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 57.6 ttp -61.47 -35.21 76.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.671 -0.695 . . . . 10.64 111.18 -174.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 m -83.66 -23.02 31.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.199 -0.455 . . . . 9.14 111.014 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -85.97 -46.12 10.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.993 -0.549 . . . . 9.09 111.647 -176.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 91' ' ' ALA . 68.0 t -61.66 -21.86 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.525 -0.307 . . . . 10.49 111.23 -176.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.2 m -53.95 -62.54 1.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.186 0.517 . . . . 12.05 111.21 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.577 ' O ' HG13 ' A' ' 101' ' ' ILE . 19.8 p-10 -144.89 69.7 14.69 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.851 -0.613 . . . . 11.63 110.348 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.1 -23.64 33.58 Favored 'Trans proline' 0 CA--C 1.518 -0.305 0 C-N-CA 122.276 1.984 . . . . 13.14 112.621 -172.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.63 -21.44 35.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.242 0.544 . . . . 11.54 109.836 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.3 m -86.19 -41.68 14.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.56 -0.745 . . . . 10.92 110.316 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 97' ' ' ASN . 44.6 mt -56.02 -43.76 76.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 121.302 0.572 . . . . 12.82 110.096 176.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 51.7 ttm -55.81 -43.86 77.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.978 -1.01 . . . . 13.52 112.123 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 38.2 pt -86.95 -28.45 5.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.124 0.416 . . . . 11.63 112.124 -172.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -87.87 -15.84 35.62 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.861 -0.336 . . . . 12.18 110.845 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -43.44 -57.41 3.09 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.935 0.772 . . . . 14.52 112.769 -172.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.94 -42.14 79.21 Favored Glycine 0 C--O 1.228 -0.254 0 C-N-CA 121.315 -0.469 . . . . 12.13 113.4 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -86.74 -39.2 16.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 12.5 111.849 -177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -77.15 -20.23 55.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.287 -0.415 . . . . 15.06 111.574 -172.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -63.86 -17.04 62.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.485 -0.325 . . . . 15.55 110.953 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -54.83 111.75 0.89 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.063 -0.517 . . . . 14.34 110.85 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.449 ' HG2' ' HG2' ' A' ' 112' ' ' ARG . 31.2 tt0 70.82 -75.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 124.026 0.829 . . . . 14.49 110.955 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.449 ' HG2' ' HG2' ' A' ' 111' ' ' GLN . 10.4 ptt180 175.51 -173.92 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.603 -0.517 . . . . 15.04 109.603 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.54 15.05 0.39 Allowed 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.491 0.552 . . . . 12.69 112.491 -175.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.4 p -85.89 -15.09 42.85 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.142 0.496 . . . . 11.01 110.294 173.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.2 p -82.67 2.56 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 115.797 -0.638 . . . . 11.73 110.81 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.501 ' HB2' ' HA ' ' A' ' 122' ' ' LYS . 23.8 pttm -63.11 129.34 39.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.12 0.486 . . . . 11.01 110.944 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 125' ' ' HIS . 3.1 t -69.49 99.33 1.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.806 -0.634 . . . . 8.23 109.615 177.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -75.78 65.9 1.98 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.867 0.841 . . . . 8.32 110.111 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.61 ' OD1' ' HA ' ' A' ' 134' ' ' ARG . 9.9 t30 -175.58 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.175 -1.375 . . . . 9.46 109.442 176.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 96.6 m -86.39 -23.73 26.02 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.836 -0.431 . . . . 9.56 109.836 172.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 135.41 -61.49 0.62 Allowed Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.791 -0.719 . . . . 9.05 112.886 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.501 ' HA ' ' HB2' ' A' ' 116' ' ' LYS . 23.3 pttm -174.35 29.36 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.902 0.382 . . . . 13.0 111.688 -172.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -88.86 163.99 15.4 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.563 -0.532 . . . . 12.54 109.563 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.97 47.65 3.38 Favored Glycine 0 CA--C 1.516 0.116 0 C-N-CA 121.111 -0.566 . . . . 11.87 112.542 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.615 ' HB2' ' SG ' ' A' ' 117' ' ' CYS . 17.0 m170 -105.53 -162.22 0.86 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.382 0.61 . . . . 12.65 110.093 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.463 ' N ' HD13 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -137.55 115.62 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 107.912 -1.144 . . . . 12.52 107.912 170.101 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.76 -19.4 27.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.051 0.389 . . . . 9.79 112.051 -172.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -74.12 -42.79 59.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 13.48 111.61 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -107.42 -21.44 12.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.478 -0.328 . . . . 15.0 111.332 -173.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.9 124.06 17.94 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.254 -0.43 . . . . 11.89 111.162 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -77.97 99.76 6.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.683 0.754 . . . . 17.97 110.359 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -166.67 139.13 2.99 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.285 -0.87 . . . . 12.57 108.874 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -45.59 105.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.215 2.61 . . . . 14.02 112.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.61 ' HA ' ' OD1' ' A' ' 119' ' ' ASN . 41.9 ttm180 -77.45 120.8 22.95 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.592 -0.731 . . . . 12.91 110.775 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -66.36 157.81 30.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.028 -0.987 . . . . 10.43 111.093 -177.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.452 ' N ' ' HD2' ' A' ' 136' ' ' LYS . 2.8 mptp? -104.68 75.89 1.24 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.338 -0.847 . . . . 11.97 109.095 -178.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 111.7 -111.5 2.91 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.214 -0.903 . . . . 9.91 112.965 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.694 ' SG ' ' HB2' ' A' ' 146' ' ' HIS . 74.5 m -81.34 152.46 27.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.557 0.678 . . . . 12.01 111.529 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -112.91 -24.58 9.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.589 -0.732 . . . . 11.32 110.963 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -95.04 -55.06 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.137 -0.483 . . . . 16.43 110.756 -174.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -9.89 59.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.967 -0.56 . . . . 14.15 111.177 -177.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 148.26 -109.57 0.46 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.385 -0.912 . . . . 12.26 112.191 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 138' ' ' CYS . 16.1 pttp -155.37 -71.76 0.12 Allowed 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 123.695 0.291 . . . . 16.11 111.452 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.21 0.35 40.24 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.727 -0.389 . . . . 14.2 111.725 -173.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -58.33 -37.88 88.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.667 -0.778 . . . . 13.35 111.168 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.694 ' HB2' ' SG ' ' A' ' 138' ' ' CYS . 10.8 m80 -130.01 157.1 43.27 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.207 -1.034 . . . . 15.6 108.207 174.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 147' ' ' GLN . 16.6 mm-40 -85.7 15.38 4.76 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 121.183 -0.207 . . . . 15.61 110.908 177.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 1.4 tmt? 68.26 -54.71 0.52 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.965 0.906 . . . . 13.85 111.6 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -60.35 -42.28 95.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.271 0.557 . . . . 16.38 110.635 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -91.86 18.96 7.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.606 -0.724 . . . . 17.63 111.08 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 45.6 t -95.34 107.06 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.758 -0.46 . . . . 16.07 109.758 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 31.3 m -104.86 115.24 29.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.018 -0.537 . . . . 19.18 110.408 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -91.67 108.23 19.76 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.437 -0.579 . . . . 19.35 109.437 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -151.36 133.89 15.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.456 -0.338 . . . . 23.86 110.59 -175.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -87.86 38.31 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.969 0.414 . . . . 22.71 111.086 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -96.63 -0.54 48.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.325 0.583 . . . . 23.3 110.393 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 17.9 m120 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.512 -0.756 . . . . 24.49 109.589 179.148 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.443 ' HG3' ' H ' ' A' ' 2' ' ' TYR . 17.4 ptt? . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.352 0.12 . . . . 21.1 111.062 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.443 ' H ' ' HG3' ' A' ' 1' ' ' MET . 42.9 p90 -171.62 146.91 2.24 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.896 -0.409 . . . . 22.21 109.896 177.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m -130.64 86.86 51.53 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.326 -0.397 . . . . 17.6 110.585 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.496 ' O ' HG12 ' A' ' 7' ' ' ILE . 66.5 Cg_endo -96.04 171.22 1.13 Allowed 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.304 2.67 . . . . 16.38 112.074 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 m -81.67 -14.3 56.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.569 0.699 . . . . 15.87 109.964 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -61.51 -17.1 53.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.368 -0.833 . . . . 13.69 112.059 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 4' ' ' PRO . 23.7 pt -78.72 -14.04 13.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.137 0.494 . . . . 12.44 110.612 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp -83.12 -18.18 40.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.296 0.569 . . . . 13.42 109.49 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -103.43 26.29 8.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.543 -0.753 . . . . 12.54 110.528 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.1 pt -71.15 63.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.827 -0.624 . . . . 8.91 112.491 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.479 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 12.0 ptp180 -133.05 172.75 12.22 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.273 -0.639 . . . . 13.88 109.273 174.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -122.75 143.24 49.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.168 0.509 . . . . 8.1 111.595 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.25 169.3 18.53 Favored Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.862 -0.895 . . . . 9.68 110.862 170.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.52 -34.78 84.8 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.409 2.073 . . . . 11.51 112.512 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -94.42 3.65 54.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.388 -0.369 . . . . 13.85 111.267 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -82.29 128.53 67.09 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.79 0.328 . . . . 9.91 110.779 -175.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.94 112.07 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.416 2.077 . . . . 10.58 110.452 170.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -51.96 -35.58 46.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.509 -0.769 . . . . 7.07 111.25 -176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.474 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 72.1 ttt180 -71.08 -18.89 62.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.303 -0.408 . . . . 14.51 111.871 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -86.81 -59.61 2.22 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.301 -0.559 . . . . 11.24 111.79 -172.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.55 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 6.2 m-85 -75.59 -24.66 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.475 -0.49 . . . . 7.46 111.896 -175.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.7 t -79.57 -25.46 12.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.132 0.491 . . . . 6.96 109.868 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 20.9 t70 -61.79 -36.54 81.39 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.97 -0.752 . . . . 11.68 108.97 171.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.55 ' HD2' ' HA ' ' A' ' 21' ' ' TYR . 31.6 mtt180 -70.24 -35.47 73.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.173 -0.921 . . . . 11.78 109.679 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.493 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 66.4 t80 -61.67 -34.3 75.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.208 -0.905 . . . . 7.02 110.046 177.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -81.59 -36.67 28.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.795 -0.639 . . . . 11.69 109.911 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 41.9 mmtm -60.51 -43.56 96.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.79 -0.641 . . . . 13.74 111.533 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 t -68.22 -27.59 66.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.929 0.395 . . . . 10.18 110.561 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 85.8 mt -74.42 -24.82 59.15 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.913 0.387 . . . . 9.09 110.043 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -71.62 -34.47 69.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.839 -0.619 . . . . 14.84 110.572 175.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.62 -57.62 6.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.182 -0.463 . . . . 12.23 110.511 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -89.86 43.81 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.179 0.514 . . . . 11.14 110.651 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -63.17 -13.64 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.995 -0.548 . . . . 11.89 112.062 -175.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.4 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.085 0.469 . . . . 12.28 110.63 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 15.4 m -82.73 54.24 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.102 -0.499 . . . . 12.31 111.374 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -67.62 -33.6 75.31 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.249 0.547 . . . . 12.57 110.435 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -55.83 -33.5 64.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.054 -0.975 . . . . 14.44 111.204 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.1 t -81.8 -38.22 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.185 -0.461 . . . . 11.92 110.075 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 35' ' ' SER . 97.1 mttt -53.97 -42.24 68.73 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.474 -0.785 . . . . 9.98 111.624 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -43.42 -56.05 3.81 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.765 0.666 . . . . 11.89 112.096 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.1 -44.6 14.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.224 -0.444 . . . . 11.87 110.529 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.721 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -60.37 -53.92 51.78 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.787 -0.642 . . . . 9.29 112.261 -173.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 39' ' ' LYS . 4.6 t -58.28 -31.31 67.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.911 0.386 . . . . 7.6 111.507 -170.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -84.01 -44.48 14.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.377 -0.374 . . . . 11.69 111.384 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.48 ' O ' HG13 ' A' ' 48' ' ' VAL . 9.9 t -84.11 -27.13 28.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.11 0.481 . . . . 11.45 110.573 -174.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.721 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -72.41 -51.23 21.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.063 -0.517 . . . . 8.6 110.779 178.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.5 tp -67.48 -26.29 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.763 0.316 . . . . 6.14 110.246 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 45' ' ' THR . 1.6 p -81.82 -30.68 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 9.05 110.735 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -81.75 -47.05 13.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.209 0.528 . . . . 12.79 110.646 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.479 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 7.3 m-20 -70.28 -15.69 62.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.528 -0.76 . . . . 8.64 112.25 -176.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.27 151.78 41.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.03 0.443 . . . . 8.36 110.012 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -69.0 135.39 89.6 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.804 -0.634 . . . . 9.66 109.468 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -38.88 -50.32 2.57 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.93 3.087 . . . . 12.29 113.327 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.59 -46.65 89.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.838 -0.619 . . . . 10.64 112.276 -174.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.604 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 30.6 p -75.66 -41.02 55.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.077 -0.51 . . . . 8.04 111.709 -170.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -72.61 -23.68 60.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.288 0.566 . . . . 10.04 109.93 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.515 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 20.3 m -68.71 -45.27 72.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.611 -0.722 . . . . 12.79 111.189 173.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 55' ' ' CYS . 2.8 pp -74.8 -24.14 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.263 0.468 . . . . 11.46 112.263 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 66.8 mt -56.03 -45.47 79.14 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.846 0.355 . . . . 11.84 111.637 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -70.11 -20.87 63.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.465 . . . . 15.11 111.536 -174.393 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.47 -34.45 23.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.967 0.413 . . . . 15.64 110.723 176.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 70.6 mt -81.84 -27.95 33.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.869 -0.605 . . . . 15.72 112.114 -177.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -32.87 -59.58 0.44 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 115.245 0.858 . . . . 16.17 115.245 -174.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -57.24 -53.49 4.75 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.71 2.274 . . . . 18.15 114.255 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.07 -9.7 56.86 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.504 -0.855 . . . . 15.85 113.469 -169.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' A' ' 62' ' ' LEU . . . -117.4 134.8 54.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.155 0.502 . . . . 14.46 111.178 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.1 p -87.45 -178.69 6.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.535 -0.757 . . . . 15.82 110.487 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -53.06 -45.51 68.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.47 -0.332 . . . . 12.91 111.194 -175.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -72.31 -27.62 62.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.882 0.372 . . . . 16.53 111.45 -173.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' HB2' ' HB1' ' A' ' 66' ' ' ALA . 14.7 mt-10 -81.09 -35.49 31.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.938 0.399 . . . . 15.56 110.565 -175.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.9 ptp -76.3 -28.08 56.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.569 -0.53 . . . . 10.69 109.569 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.474 ' SD ' ' HB2' ' A' ' 19' ' ' ARG . 58.0 ttp -68.25 -40.89 81.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.926 -0.579 . . . . 11.49 110.228 175.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.467 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 32.7 m -69.33 -29.13 66.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.698 -0.683 . . . . 12.19 110.487 176.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.81 62.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.532 -0.758 . . . . 9.59 111.773 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.4 ' SG ' HD13 ' A' ' 58' ' ' ILE . 74.7 m -86.23 -24.71 25.94 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.322 0.49 . . . . 7.45 112.322 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 73' ' ' THR . 10.6 pt20 -80.01 114.95 19.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.382 0.61 . . . . 11.35 110.298 -178.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.86 56.37 4.52 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.693 -0.765 . . . . 9.18 112.543 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 t -76.34 77.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.301 -0.629 . . . . 8.24 109.301 173.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.98 -0.82 77.31 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.692 -0.686 . . . . 10.49 111.901 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.78 -131.96 11.5 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.503 -0.639 . . . . 10.68 111.503 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.506 ' HD2' ' CE1' ' A' ' 83' ' ' HIS . 21.7 Cg_exo -67.17 -151.94 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.425 0 C-N-CA 122.995 2.463 . . . . 12.52 112.161 174.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.64 61.99 2.8 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 121.074 -0.584 . . . . 11.58 112.829 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CE1' ' HD2' ' A' ' 81' ' ' PRO . 30.5 m170 -93.05 -165.21 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.698 0.285 . . . . 11.24 110.596 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.582 ' O ' HG22 ' A' ' 87' ' ' VAL . 24.3 pttm -71.51 21.47 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.94 -0.573 . . . . 12.52 112.231 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 83' ' ' HIS . . . -52.22 -20.0 2.36 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.427 0.691 . . . . 9.36 112.55 -174.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -59.96 -35.34 74.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.369 -0.378 . . . . 11.22 110.874 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 84' ' ' LYS . 5.4 m -74.94 -20.5 16.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.376 . . . . 8.17 110.056 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 82.2 mt -78.03 -41.3 36.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 9.0 109.534 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.5 -29.27 69.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.415 0.626 . . . . 7.69 109.734 174.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -70.47 -39.19 74.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.404 -0.816 . . . . 8.34 110.298 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.69 -20.48 58.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 7.39 110.112 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.51 ' HA ' HG23 ' A' ' 95' ' ' VAL . 16.3 tpt -49.12 -36.98 20.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.12 -0.945 . . . . 10.64 111.63 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.1 t -68.28 -27.89 66.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.303 -0.408 . . . . 9.14 110.812 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -87.11 -46.08 10.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.882 0.373 . . . . 9.09 111.129 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.51 HG23 ' HA ' ' A' ' 92' ' ' MET . 33.0 m -67.5 -20.15 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 112.141 0.422 . . . . 10.49 112.141 -174.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -20.1 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.237 0.542 . . . . 12.05 110.839 175.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -123.79 72.41 52.47 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 108.125 -1.065 . . . . 11.63 108.125 173.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.27 -5.29 13.5 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.641 2.227 . . . . 13.14 113.209 -168.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.83 -31.37 63.18 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.908 -0.587 . . . . 11.54 110.879 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.0 p -90.55 -65.15 1.04 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.497 0.665 . . . . 10.92 111.555 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.8 mm -85.78 -53.21 10.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.076 -0.965 . . . . 12.82 112.132 -170.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.9 ttt -62.38 -33.21 74.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.459 -0.791 . . . . 13.52 112.08 -167.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.4 tt -88.15 -34.05 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.074 -0.65 . . . . 11.63 110.855 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -69.76 -51.48 33.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 12.18 110.159 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -65.92 -21.06 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 14.52 110.865 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.42 -62.78 2.36 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.515 -0.85 . . . . 12.13 111.969 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.71 -41.62 71.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.197 0.443 . . . . 12.5 112.197 -173.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -65.7 -36.63 84.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.325 . . . . 15.06 111.106 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -80.1 -51.47 8.97 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.913 -0.315 . . . . 15.55 110.424 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -174.86 -75.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 14.34 110.947 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -177.85 147.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.456 -0.942 . . . . 14.49 108.456 177.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -60.12 -48.31 82.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 118.414 0.552 . . . . 15.04 110.764 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -82.05 15.73 2.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 12.69 112.359 -175.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 4.1 t -74.1 -14.48 60.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.139 0.495 . . . . 11.01 110.194 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.462 ' O ' ' HA2' ' A' ' 124' ' ' GLY . 9.6 t -84.13 1.11 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.542 -0.754 . . . . 11.73 110.333 -178.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -108.09 135.46 49.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.997 0.427 . . . . 11.01 110.114 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.713 ' SG ' ' HB2' ' A' ' 125' ' ' HIS . 80.0 m -75.93 100.34 4.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.943 -0.571 . . . . 8.23 111.072 175.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -78.39 64.99 3.6 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.217 0.532 . . . . 8.32 109.568 171.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.521 ' HB3' ' HA ' ' A' ' 134' ' ' ARG . 27.5 p-10 -177.54 -43.42 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 114.81 -1.086 . . . . 9.46 111.171 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.45 5.81 50.07 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.023 0.44 . . . . 9.56 110.797 -177.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.85 52.7 0.64 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.583 -0.818 . . . . 9.05 113.492 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt 44.71 39.05 3.14 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.826 0.85 . . . . 13.0 111.844 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -93.24 155.67 17.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.07 -0.514 . . . . 12.54 110.011 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.462 ' HA2' ' O ' ' A' ' 115' ' ' VAL . . . -79.73 46.71 3.15 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 114.588 0.595 . . . . 11.87 114.588 -171.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.713 ' HB2' ' SG ' ' A' ' 117' ' ' CYS . 19.4 m80 -108.25 -140.47 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.032 -0.729 . . . . 12.65 109.032 173.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.435 ' N ' HD13 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -129.94 130.23 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 108.544 -0.91 . . . . 12.52 108.544 168.414 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.34 -20.01 57.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.912 -0.586 . . . . 9.79 112.222 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -83.68 -5.16 59.12 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.894 0.331 . . . . 13.48 111.894 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -107.31 -24.42 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.755 -0.378 . . . . 15.0 111.101 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 98.2 m -91.16 130.93 36.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.446 -0.343 . . . . 11.89 110.675 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -78.87 98.67 6.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.885 0.85 . . . . 17.97 110.826 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -167.25 151.17 6.33 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 114.675 -1.148 . . . . 12.57 108.601 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.31 86.42 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.881 2.387 . . . . 14.02 112.279 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.521 ' HA ' ' HB3' ' A' ' 119' ' ' ASN . 7.7 ptt180 -76.35 154.65 34.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.864 -0.607 . . . . 12.91 111.446 -176.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.646 ' HG3' ' SD ' ' A' ' 148' ' ' MET . 0.1 OUTLIER 66.6 -87.23 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 114.937 -1.028 . . . . 10.43 108.299 -171.68 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.3 tptp 47.68 33.58 3.16 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.857 0.723 . . . . 11.97 112.586 170.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 90.59 -122.13 6.52 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.282 -0.961 . . . . 9.91 112.56 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 85.8 m -112.32 108.46 17.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.019 0.378 . . . . 12.01 112.019 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -82.06 -13.5 57.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.013 0.435 . . . . 11.32 110.576 169.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -95.38 -55.1 3.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.083 -0.508 . . . . 16.43 110.967 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 60.1 m -69.4 -18.4 63.76 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.788 0.328 . . . . 14.15 110.702 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.13 5.07 75.05 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 120.93 -0.652 . . . . 12.26 112.678 -178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -109.0 -174.08 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.058 0.456 . . . . 16.11 110.691 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -110.78 29.31 7.87 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.607 -0.724 . . . . 14.2 110.326 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -89.01 -81.4 1.3 Allowed Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.866 -0.683 . . . . 13.35 113.58 -172.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -63.31 143.27 57.95 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 110.121 -0.326 . . . . 15.6 110.121 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -86.23 48.1 1.56 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.98 0.419 . . . . 15.61 111.094 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.646 ' SD ' ' HG3' ' A' ' 135' ' ' LYS . 25.7 ttt 68.03 -54.96 0.51 Allowed 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.085 -0.961 . . . . 13.85 112.587 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -69.57 -38.67 77.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.125 0.488 . . . . 16.38 110.668 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -74.02 -10.75 59.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.724 -0.671 . . . . 17.63 110.462 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 4.9 t -78.14 83.06 4.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.998 -0.741 . . . . 16.07 108.998 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 1.9 p -107.27 152.36 24.23 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.776 -0.647 . . . . 19.18 111.39 -175.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -111.93 124.82 53.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.875 -0.602 . . . . 19.35 109.765 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 67.49 149.93 0.06 Allowed 'General case' 0 C--O 1.236 0.389 0 O-C-N 123.801 0.688 . . . . 23.86 111.899 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 72.38 -64.91 0.38 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.318 -0.856 . . . . 22.71 111.717 176.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -93.11 99.25 11.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.47 -0.332 . . . . 23.3 110.953 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.449 -0.786 . . . . 24.49 110.184 179.833 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.617 -0.512 . . . . 21.1 109.617 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.4 t80 60.82 31.68 20.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 122.086 0.946 . . . . 22.21 108.721 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.418 ' C ' ' H ' ' A' ' 5' ' ' THR . 62.1 p -145.98 153.84 50.09 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 114.855 -1.066 . . . . 17.6 109.558 -174.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -75.24 39.24 0.59 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.507 2.138 . . . . 16.38 112.14 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' HD13 ' A' ' 8' ' ' LEU . 20.8 m -89.26 -25.7 21.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.659 0.742 . . . . 15.87 110.17 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.694 ' O ' HG22 ' A' ' 10' ' ' ILE . 10.3 m -65.03 -21.32 66.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.464 -0.789 . . . . 13.69 111.366 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.486 ' O ' HG12 ' A' ' 10' ' ' ILE . 42.8 pt -82.91 -30.06 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 112.287 0.477 . . . . 12.44 112.287 -169.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -85.91 -18.43 32.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.619 0.723 . . . . 13.42 109.781 174.718 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.466 ' N ' HD23 ' A' ' 8' ' ' LEU . 29.2 t70 -76.0 -23.62 55.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.493 -1.231 . . . . 12.54 111.446 -177.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 6' ' ' SER . 11.5 pt -76.79 55.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.796 0.808 . . . . 8.91 112.392 -173.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -127.57 157.68 39.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.63 -0.714 . . . . 13.88 109.282 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.438 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 40.7 tt0 -108.45 142.69 38.45 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.455 -0.339 . . . . 8.1 111.011 -172.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.83 159.61 34.63 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.235 -0.746 . . . . 9.68 111.235 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -42.64 -49.37 6.58 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.667 2.911 . . . . 11.51 114.216 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 14.35 18.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.356 . . . . 13.85 111.717 -174.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.77 131.52 92.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 9.91 110.973 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -58.47 119.13 6.18 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.481 2.12 . . . . 10.58 110.828 173.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.695 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 44.3 t80 -53.59 -30.41 42.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.517 -0.765 . . . . 7.07 111.429 -177.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -58.78 -34.56 71.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 14.51 111.09 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 29.4 t70 -85.73 -34.35 21.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.057 0.456 . . . . 11.24 110.491 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.473 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 11.1 t80 -57.37 -35.08 69.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.686 0.755 . . . . 7.46 109.889 171.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 18' ' ' PHE . 47.8 t -72.38 -38.75 61.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.056 -0.975 . . . . 6.96 110.392 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 10.9 t70 -52.14 -47.15 65.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.54 -0.754 . . . . 11.68 111.819 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.547 ' HG3' ' HA ' ' A' ' 10' ' ' ILE . 4.6 ptm180 -72.92 -39.74 66.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 11.78 110.011 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.689 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 51.8 t80 -64.18 -27.82 69.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.446 -0.797 . . . . 7.02 110.984 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -79.47 -39.77 31.38 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.4 0.619 . . . . 11.69 109.798 -176.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 9.7 mtmp? -64.38 -29.12 70.19 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.463 -0.79 . . . . 13.74 112.349 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.547 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 14.8 t -77.74 -30.78 51.77 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.269 -0.573 . . . . 10.18 110.25 176.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 81.1 mt -70.43 -32.18 69.66 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.457 -0.338 . . . . 9.09 111.109 -177.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 23.5 ptt180 -70.49 -22.46 62.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.405 0.621 . . . . 14.84 110.278 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -56.21 4.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.352 -0.84 . . . . 12.23 110.544 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.3 pt-20 -86.65 52.01 2.39 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.667 0.746 . . . . 11.14 111.153 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -64.17 -17.56 63.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.552 -0.749 . . . . 11.89 111.849 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.39 -38.84 29.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.841 0.353 . . . . 12.28 111.091 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m -81.89 69.23 8.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.984 -0.553 . . . . 12.31 111.103 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -71.36 -43.47 66.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.951 -0.568 . . . . 12.57 111.091 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -68.39 -28.46 67.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.282 0.563 . . . . 14.44 110.675 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -71.45 -45.52 68.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.609 -0.723 . . . . 11.92 110.675 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -74.57 -23.61 58.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.167 0.508 . . . . 9.98 110.535 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -67.81 -30.15 69.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.602 -0.726 . . . . 11.89 109.243 175.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.99 -37.66 21.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.336 -0.847 . . . . 11.87 110.02 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.531 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -59.13 -36.84 75.91 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.163 -0.926 . . . . 9.29 111.872 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 47' ' ' LEU . 17.8 p -60.26 -43.02 96.5 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.978 0.418 . . . . 7.6 111.439 -178.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -85.75 -44.06 12.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.525 0.565 . . . . 11.69 112.525 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.0 m -83.87 -45.28 13.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.159 0.504 . . . . 11.45 111.507 -175.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.531 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 2.1 tm? -87.76 -51.44 5.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.841 -0.618 . . . . 8.6 111.262 -171.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.533 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.5 tm? -67.36 -25.87 66.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.716 0.769 . . . . 6.14 109.891 -172.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.53 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 55.5 t -81.31 -48.47 18.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.875 -0.602 . . . . 9.05 110.938 176.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -71.65 -32.5 67.99 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.175 0.435 . . . . 12.79 112.175 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 1.4 m-20 -81.44 2.1 30.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.209 0.818 . . . . 8.64 113.209 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.547 ' CB ' ' HD3' ' A' ' 56' ' ' LYS . . . -105.71 -179.93 4.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 118.916 -1.114 . . . . 8.36 111.008 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.509 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 39.1 t30 -62.64 121.17 65.97 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.71 -0.677 . . . . 9.66 110.092 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -38.39 -52.82 1.88 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.394 2.729 . . . . 12.29 112.881 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.81 -46.92 71.25 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.879 0.737 . . . . 10.64 112.029 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.546 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 65.5 m -60.34 -41.33 93.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.447 -0.797 . . . . 8.04 111.186 -176.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.547 ' HD3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.23 -22.99 41.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.456 0.646 . . . . 10.04 111.705 176.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.594 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 55.2 m -66.68 -45.89 77.41 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.952 -1.022 . . . . 12.79 111.261 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 42.1 pt -68.4 -30.16 46.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 111.622 0.23 . . . . 11.46 111.622 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 46.2 mt -53.29 -43.43 67.51 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.351 0.5 . . . . 11.84 112.351 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 57' ' ' THR . 13.1 pttp -71.31 -20.41 62.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.865 0.364 . . . . 15.11 110.919 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.35 -12.6 59.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 15.64 110.617 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.2 mt -76.67 -15.38 59.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.003 0.43 . . . . 15.72 110.205 175.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.22 -87.79 0.32 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.859 -0.686 . . . . 16.17 112.513 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -80.81 1.97 8.91 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.848 2.365 . . . . 18.15 112.904 -173.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 60' ' ' LYS . . . 93.84 9.93 59.32 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.579 -0.819 . . . . 15.85 111.856 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 68.8 117.03 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.418 0.628 . . . . 14.46 111.34 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 p -73.45 -84.04 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.673 -0.694 . . . . 15.82 112.291 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -132.13 -59.29 0.94 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.926 -0.31 . . . . 12.91 110.197 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.9 -28.19 60.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.222 0.534 . . . . 16.53 110.236 -175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.47 -50.32 65.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.155 -0.929 . . . . 15.56 110.121 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.2 ptp -69.62 -29.84 67.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 10.69 110.519 -178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.695 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 44.2 ttm -69.28 -48.48 61.55 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.012 -0.54 . . . . 11.49 110.082 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -67.76 -46.89 70.77 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.162 -0.926 . . . . 12.19 111.18 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.61 83.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.735 -0.666 . . . . 9.59 112.523 -174.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 71.4 m -88.4 11.81 15.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.21 0.448 . . . . 7.45 112.21 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' A' ' 72' ' ' MET . 79.2 mt-30 -99.83 115.71 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.954 0.407 . . . . 11.35 110.517 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.52 -1.83 39.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 9.18 112.697 177.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.4 t -67.35 106.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.906 0.384 . . . . 8.24 110.564 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.4 20.12 78.95 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.834 -0.698 . . . . 10.49 111.825 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -84.13 -147.88 8.49 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.08 -0.581 . . . . 10.68 112.582 -176.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.55 19.3 1.36 Allowed 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 123.023 2.482 . . . . 12.52 112.99 -176.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.6 65.34 1.35 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.612 -0.804 . . . . 11.58 112.186 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -80.63 76.07 7.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.082 0.467 . . . . 11.24 109.918 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.626 ' O ' HG11 ' A' ' 87' ' ' VAL . 40.2 ttmt -114.91 -67.42 1.0 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.156 0.503 . . . . 12.52 111.26 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.518 ' O ' ' HG ' ' A' ' 88' ' ' LEU . . . -64.66 -30.62 71.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 9.36 111.508 -174.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -62.39 -31.57 72.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.301 -0.408 . . . . 11.22 111.977 -176.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.626 HG11 ' O ' ' A' ' 84' ' ' LYS . 11.9 p -80.6 -29.76 12.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.541 -0.464 . . . . 8.17 110.619 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 85' ' ' ALA . 4.0 pp -86.19 -38.04 18.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.235 -0.439 . . . . 9.0 110.341 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.71 71.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.866 -0.607 . . . . 7.69 110.292 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 39.6 tt0 -59.89 -43.05 94.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.582 -0.735 . . . . 8.34 110.664 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.89 -27.06 36.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.171 0.51 . . . . 7.39 110.251 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 52.9 ttm -61.34 -41.52 97.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.435 -0.802 . . . . 10.64 110.644 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 p -74.3 -25.38 59.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.331 -0.395 . . . . 9.14 111.082 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 98.7 mt-30 -74.86 -29.68 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.711 0.291 . . . . 9.09 111.687 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.0 -29.77 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.885 -0.326 . . . . 10.49 111.231 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.6 m -83.58 -47.6 11.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.108 0.48 . . . . 12.05 110.709 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 99' ' ' ALA . 3.8 m-20 -93.3 141.46 24.0 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.708 -0.678 . . . . 11.63 109.735 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.452 ' O ' ' HG3' ' A' ' 102' ' ' MET . 61.1 Cg_endo -73.99 36.24 0.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.871 2.381 . . . . 13.14 112.711 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' A' ' 97' ' ' ASN . . . -65.29 -27.24 68.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.176 0.512 . . . . 11.54 110.39 -178.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.4 p -79.25 -34.79 42.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.442 -0.799 . . . . 10.92 110.386 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.06 -31.94 49.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.574 0.702 . . . . 12.82 109.588 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.452 ' HG3' ' O ' ' A' ' 98' ' ' PRO . 66.1 mtt -60.28 -17.55 43.09 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.058 -0.974 . . . . 13.52 111.213 175.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 48.6 mm -75.33 -45.67 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.591 -0.277 . . . . 11.63 110.673 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -76.54 -29.43 56.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 12.18 110.369 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -76.06 -16.06 60.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 14.52 111.058 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.25 -26.49 43.62 Favored Glycine 0 C--O 1.226 -0.371 0 CA-C-N 115.58 -0.736 . . . . 12.13 113.777 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -69.6 -23.84 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.409 0.604 . . . . 12.5 111.233 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -80.19 -48.87 12.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.956 0.408 . . . . 15.06 110.905 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -80.04 -31.69 39.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.067 -0.515 . . . . 15.55 110.97 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 61.95 -80.93 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.83 0.852 . . . . 14.34 111.678 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -133.08 60.45 1.7 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.066 0.46 . . . . 14.49 109.995 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -58.92 132.04 52.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.651 -0.704 . . . . 15.04 110.583 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -63.8 -32.72 74.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.508 -0.769 . . . . 12.69 110.71 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.4 m -59.89 -22.31 62.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.802 -0.636 . . . . 11.01 112.138 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.69 -28.2 40.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 120.902 0.382 . . . . 11.73 110.457 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 123' ' ' GLU . 4.0 mppt? -85.69 138.41 32.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.058 -0.519 . . . . 11.01 109.664 177.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 125' ' ' HIS . 0.1 OUTLIER -76.66 100.33 5.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.189 -0.459 . . . . 8.23 111.579 -175.438 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -85.88 65.97 9.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.381 -0.372 . . . . 8.32 111.134 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -168.72 -46.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.874 -0.603 . . . . 9.46 110.819 174.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 29.4 p -91.54 -16.15 27.63 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.041 0.448 . . . . 9.56 110.505 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 120.28 65.24 0.27 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.493 -0.861 . . . . 9.05 113.235 174.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 123' ' ' GLU . 37.6 mtmm 67.77 -156.63 0.21 Allowed 'General case' 0 C--O 1.236 0.345 0 C-N-CA 122.715 0.406 . . . . 13.0 111.088 172.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 0.6 OUTLIER 70.12 161.57 0.22 Allowed 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 123.894 0.746 . . . . 12.54 111.611 -175.179 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -78.61 47.56 3.04 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.657 -0.701 . . . . 11.87 112.988 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.562 ' HB3' ' SG ' ' A' ' 117' ' ' CYS . 16.2 t-160 -96.35 168.49 10.54 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.39 -0.967 . . . . 12.65 108.39 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.468 ' H ' ' CD2' ' A' ' 125' ' ' HIS . 17.5 pt -111.69 113.17 43.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.149 0.499 . . . . 12.52 110.591 -178.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.455 ' HA ' ' HB3' ' A' ' 130' ' ' CYS . . . -63.32 -19.68 64.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.626 -0.716 . . . . 9.79 111.322 -176.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -77.23 -18.63 57.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.57 -0.741 . . . . 13.48 111.377 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -121.53 29.76 7.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.365 -0.976 . . . . 15.0 108.365 174.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.455 ' HB3' ' HA ' ' A' ' 127' ' ' ALA . 34.3 t -124.02 116.36 22.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.121 -0.945 . . . . 11.89 110.536 -173.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -95.69 105.61 17.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.53 0.681 . . . . 17.97 110.397 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -154.68 113.43 2.39 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.392 -0.822 . . . . 12.57 109.525 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -51.83 85.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.983 3.122 . . . . 14.02 113.403 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 135' ' ' LYS . 8.4 tpt180 175.42 -56.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.126 -0.943 . . . . 12.91 109.296 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 134' ' ' ARG . 72.8 mmtt 59.0 -170.33 0.13 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.457 -0.792 . . . . 10.43 111.068 -174.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -78.92 0.14 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.65 -0.42 . . . . 11.97 110.305 -176.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.49 -127.07 41.17 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.272 -0.966 . . . . 9.91 111.5 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 146' ' ' HIS . 35.3 t -121.36 104.58 9.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.724 -0.473 . . . . 12.01 109.724 175.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -78.77 -4.21 48.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.988 0.423 . . . . 11.32 111.182 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -77.5 -54.3 6.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.173 0.511 . . . . 16.43 110.098 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 4.5 m -95.18 -17.83 21.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.464 -0.789 . . . . 14.15 110.35 -177.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 85.26 25.92 38.34 Favored Glycine 0 C--N 1.329 0.178 0 C-N-CA 120.87 -0.681 . . . . 12.26 112.864 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.445 ' HG2' ' H ' ' A' ' 145' ' ' GLY . 56.0 tttp -137.39 144.1 42.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.311 -0.626 . . . . 16.11 109.311 -177.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -84.26 2.72 38.76 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.225 0.536 . . . . 14.2 110.786 -176.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.445 ' H ' ' HG2' ' A' ' 143' ' ' LYS . . . -61.75 -36.36 92.61 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.817 -0.706 . . . . 13.35 111.696 176.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.469 ' O ' ' HB2' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -109.83 143.86 39.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.818 -0.808 . . . . 15.6 108.818 178.086 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.431 ' HB3' ' HB2' ' A' ' 150' ' ' ASP . 56.6 tp60 -85.87 138.69 31.86 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.604 -0.888 . . . . 15.61 108.604 169.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 44.3 ttm -41.04 -46.06 2.81 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.796 0.665 . . . . 13.85 112.796 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.38 -20.86 36.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.059 0.457 . . . . 16.38 111.506 -175.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.431 ' HB2' ' HB3' ' A' ' 147' ' ' GLN . 10.3 m-20 -112.2 16.44 20.09 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.714 -0.675 . . . . 17.63 112.07 -172.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 51.4 t -77.35 88.0 3.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.383 0.611 . . . . 16.07 110.489 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 12.0 m -131.94 103.87 6.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.451 -0.795 . . . . 19.18 109.239 174.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -113.48 121.27 43.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.282 -0.417 . . . . 19.35 110.75 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -137.24 -45.15 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.877 -0.601 . . . . 23.86 110.524 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -86.72 64.89 8.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.188 0.518 . . . . 22.71 110.656 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -121.43 66.2 0.88 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.747 -0.66 . . . . 23.3 110.505 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.634 -0.712 . . . . 24.49 110.271 -179.096 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 ttp . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 119.838 -0.125 . . . . 21.1 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.51 ' HB2' ' NE2' ' A' ' 33' ' ' GLN . 99.5 m-85 68.44 127.92 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.644 0.59 . . . . 22.21 110.876 -176.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.438 ' HB2' ' HB2' ' A' ' 39' ' ' LYS . 19.9 m -138.93 148.4 57.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 122.204 -0.31 . . . . 17.6 111.117 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.553 ' HB3' ' O ' ' A' ' 32' ' ' GLU . 42.5 Cg_endo -99.06 -166.92 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 124.084 3.189 . . . . 16.38 113.553 177.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.7 m -97.52 -26.21 14.89 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.109 -0.496 . . . . 15.87 112.181 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -63.17 -14.95 54.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.038 0.447 . . . . 13.69 112.052 -177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.572 ' O ' HD13 ' A' ' 10' ' ' ILE . 42.6 pt -70.65 -13.17 16.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.37 -0.377 . . . . 12.44 110.631 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp -78.68 -22.45 46.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.47 -0.332 . . . . 13.42 111.762 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -107.19 24.7 12.41 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.12 0.785 . . . . 12.54 113.12 -173.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -91.66 146.6 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.767 -0.827 . . . . 8.91 108.767 171.353 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -140.78 161.8 36.94 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.359 -0.537 . . . . 13.88 111.251 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' HG3' ' HB3' ' A' ' 16' ' ' GLU . 64.6 tt0 -113.18 135.76 53.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.671 -0.695 . . . . 8.1 109.56 176.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.78 -150.52 24.8 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.07 -0.586 . . . . 9.68 112.448 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.55 -66.28 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.922 2.415 . . . . 11.51 112.9 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -108.2 13.71 25.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.073 -0.512 . . . . 13.85 110.832 -175.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' HB3' ' HG3' ' A' ' 12' ' ' GLN . 5.5 tp10 -51.78 118.98 12.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.606 -0.724 . . . . 9.91 110.846 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.61 123.87 14.75 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.294 1.996 . . . . 10.58 110.698 175.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -60.38 -28.87 68.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.277 -0.42 . . . . 7.07 110.523 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.72 -23.24 64.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.748 0.309 . . . . 14.51 110.725 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.31 -39.86 14.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.271 0.558 . . . . 11.24 109.549 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.444 ' CE1' HG12 ' A' ' 10' ' ' ILE . 45.3 t80 -55.55 -41.28 73.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.296 -0.866 . . . . 7.46 109.875 173.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.05 -35.26 28.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.115 -0.948 . . . . 6.96 110.282 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.83 -48.4 72.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.005 -0.543 . . . . 11.68 111.602 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -70.79 -34.98 72.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.295 0.569 . . . . 11.78 109.734 -176.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.535 ' CE1' ' HB ' ' A' ' 7' ' ' ILE . 71.0 t80 -65.28 -43.31 91.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.031 -0.986 . . . . 7.02 111.334 177.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -84.4 -27.99 27.23 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.997 -0.547 . . . . 11.69 110.857 -169.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -72.09 -33.46 67.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.081 -0.509 . . . . 13.74 110.827 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 4' ' ' PRO . 9.3 t -84.75 -27.16 27.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.73 -0.47 . . . . 10.18 109.73 175.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.503 HD11 ' CD ' ' A' ' 4' ' ' PRO . 55.3 tp -59.42 -37.84 79.08 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.556 -0.747 . . . . 9.09 110.789 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -82.82 -33.6 27.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 14.84 112.926 -173.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.17 -60.63 2.03 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 112.901 0.704 . . . . 12.23 112.901 -171.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.553 ' O ' ' HB3' ' A' ' 4' ' ' PRO . 10.1 pt-20 -93.76 29.59 2.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.605 0.595 . . . . 11.14 112.605 -171.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.51 ' NE2' ' HB2' ' A' ' 2' ' ' TYR . 3.2 pt20 -71.49 70.62 0.64 Allowed 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.465 0.543 . . . . 11.89 112.465 -173.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.0 -65.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.742 0.645 . . . . 12.28 112.742 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.732 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 16.1 m -84.6 65.65 9.13 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.994 0.368 . . . . 12.31 111.994 -174.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.512 ' HG2' ' N ' ' A' ' 37' ' ' GLU . 4.8 pm0 -48.88 -46.67 42.97 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.598 0.962 . . . . 12.57 113.598 -172.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.512 ' N ' ' HG2' ' A' ' 36' ' ' GLN . 14.9 tt0 -49.7 -58.4 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.983 1.105 . . . . 14.44 113.983 -168.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.7 t -83.0 -23.82 8.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.224 0.535 . . . . 11.92 110.859 -174.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.732 ' HG2' ' O ' ' A' ' 35' ' ' SER . 70.6 mmtt -80.19 -35.63 36.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.951 -0.568 . . . . 9.98 110.63 -174.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.62 -36.07 64.11 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.932 0.396 . . . . 11.89 111.327 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.63 -29.79 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.118 0.485 . . . . 11.87 110.195 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.639 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -76.56 -34.86 58.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.663 -0.698 . . . . 9.29 110.849 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -48.11 -39.14 19.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.894 0.877 . . . . 7.6 112.291 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -83.62 -43.08 16.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.888 -0.596 . . . . 11.69 111.538 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 t -84.59 -22.26 30.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.068 -0.514 . . . . 11.45 111.43 -173.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -74.91 -38.33 61.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.537 -0.301 . . . . 8.6 110.807 -177.762 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.27 -43.9 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 6.14 111.464 177.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.6 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 18.8 m -82.39 -26.15 8.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.85 -0.34 . . . . 9.05 111.797 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.45 -58.0 9.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.338 -0.392 . . . . 12.79 111.56 -176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -95.1 12.68 27.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.344 0.498 . . . . 8.64 112.344 -172.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.46 ' HB1' ' HB3' ' A' ' 56' ' ' LYS . . . -77.47 171.23 15.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.961 0.41 . . . . 8.36 110.678 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.512 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 26.4 t-20 -65.84 134.33 95.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.857 -0.61 . . . . 9.66 109.418 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.432 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . 71.9 Cg_exo -37.91 -51.46 1.88 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.587 2.858 . . . . 12.29 113.783 -177.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.474 ' O ' ' HB ' ' A' ' 57' ' ' THR . 6.1 t70 -75.29 -39.05 60.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.081 0.467 . . . . 10.64 110.827 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.516 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 75.1 m -61.05 -45.31 95.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.434 -0.803 . . . . 8.04 111.627 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.6 ' HD2' ' O ' ' A' ' 48' ' ' VAL . 2.0 pttt -75.05 -23.87 58.16 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.144 -0.622 . . . . 10.04 110.465 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 21.4 m -62.57 -43.98 97.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.55 -0.75 . . . . 12.79 110.447 175.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.684 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 29.5 pt -83.97 -29.93 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 11.46 112.089 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 22.6 mt -44.31 -50.84 8.86 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.969 0.414 . . . . 11.84 111.983 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -78.16 -20.14 52.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.096 -0.502 . . . . 15.11 111.548 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.93 -40.72 27.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.455 -0.339 . . . . 15.64 110.872 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 2.2 pp -98.4 -6.63 30.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.543 -0.299 . . . . 15.72 111.35 -177.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.541 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -46.28 -49.94 13.92 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.466 -0.788 . . . . 16.17 114.441 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 63' ' ' GLY . 1.8 Cg_endo -43.82 -49.26 8.31 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.25 2.633 . . . . 18.15 113.616 177.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.01 -18.5 36.85 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.548 -0.834 . . . . 15.85 112.706 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.449 ' HB2' ' N ' ' A' ' 71' ' ' MET . . . -103.79 104.08 14.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.233 0.54 . . . . 14.46 110.592 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -68.1 -69.79 0.3 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.365 -0.834 . . . . 15.82 112.751 -172.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -137.2 -65.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.593 -0.443 . . . . 12.91 111.115 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.67 -23.72 45.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.373 0.606 . . . . 16.53 109.723 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -63.96 -48.62 75.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.105 -0.952 . . . . 15.56 110.15 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.449 ' N ' ' HB2' ' A' ' 66' ' ' ALA . 24.7 ptm -73.83 -25.56 60.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.952 -0.567 . . . . 10.69 110.612 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 47.1 ttm -70.68 -52.33 21.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.359 0.6 . . . . 11.49 110.178 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.441 HG23 HE21 ' A' ' 76' ' ' GLN . 88.8 m -62.4 -34.73 77.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.127 -0.942 . . . . 12.19 110.744 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.26 -20.28 66.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.956 -0.566 . . . . 9.59 111.909 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 60.6 m -117.16 10.59 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.603 0.594 . . . . 7.45 112.603 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.441 HE21 HG23 ' A' ' 73' ' ' THR . 29.8 pt20 -100.99 116.34 32.6 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.123 -0.631 . . . . 11.35 110.355 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.4 59.3 8.51 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.607 -0.724 . . . . 9.18 111.951 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t -85.0 18.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.494 0.664 . . . . 8.24 110.237 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.49 1.06 90.23 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 110.608 -0.997 . . . . 10.49 110.608 -173.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.469 ' N ' ' HD3' ' A' ' 81' ' ' PRO . . . 58.36 57.92 17.31 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.223 -0.488 . . . . 10.68 112.912 -178.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 80' ' ' GLY . 6.2 Cg_exo -78.59 -9.81 15.94 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.975 2.45 . . . . 12.52 111.9 -176.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.98 -10.8 71.28 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 110.938 -0.865 . . . . 11.58 110.938 173.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -99.07 74.19 1.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.089 -0.708 . . . . 11.24 109.089 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.7 ' O ' HG22 ' A' ' 87' ' ' VAL . 31.4 mmmt -114.96 -58.7 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.718 -0.674 . . . . 12.52 110.396 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.96 -30.8 64.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.812 -0.631 . . . . 9.36 110.962 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.517 ' O ' ' HB2' ' A' ' 90' ' ' GLU . 14.3 mmt180 -67.68 -31.08 70.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.748 -0.66 . . . . 11.22 112.596 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.7 HG22 ' O ' ' A' ' 84' ' ' LYS . 5.6 m -74.5 -24.65 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.361 -0.536 . . . . 8.17 110.206 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.17 -45.65 10.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.662 -0.699 . . . . 9.0 110.381 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.28 -31.45 72.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.763 -0.653 . . . . 7.69 111.187 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.517 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 0.4 OUTLIER -79.78 -25.87 40.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.339 -0.391 . . . . 8.34 110.501 179.457 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.53 -26.59 37.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 7.39 110.014 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 25.3 ttt -62.54 -39.46 93.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.633 -0.712 . . . . 10.64 110.514 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 m -74.27 -20.21 60.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.033 -0.53 . . . . 9.14 110.758 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -84.7 -49.3 8.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.984 -0.553 . . . . 9.09 110.938 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.9 p -64.1 -24.05 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 10.49 111.322 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.1 p -84.2 -8.83 58.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.968 0.413 . . . . 12.05 111.064 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -126.18 76.97 72.16 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 109.47 -0.567 . . . . 11.63 109.47 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.53 -21.36 37.74 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.038 2.492 . . . . 13.14 112.646 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.97 -29.74 69.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.212 0.529 . . . . 11.54 110.021 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 104' ' ' GLN . 5.4 m -85.7 -23.9 27.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.65 -0.704 . . . . 10.92 109.898 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 37.1 mm -65.51 -51.55 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.519 . . . . 12.82 110.909 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -60.14 -33.59 72.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.694 -0.684 . . . . 13.52 111.762 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.3 pt -88.73 -15.95 8.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.906 0.384 . . . . 11.63 111.353 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.516 ' HB2' ' O ' ' A' ' 100' ' ' THR . 8.9 tt0 -64.89 -15.15 61.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.84 -0.618 . . . . 12.18 110.825 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -56.04 -20.92 18.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.098 -0.501 . . . . 14.52 110.844 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -57.18 -18.88 29.63 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.303 -0.862 . . . . 12.13 113.076 176.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -59.37 -20.36 54.19 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.698 0.249 . . . . 12.5 111.327 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -59.76 -41.75 91.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.105 0.479 . . . . 15.06 109.968 174.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -69.58 -43.73 72.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 15.55 109.613 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 64.8 t30 57.38 52.79 8.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.688 0.756 . . . . 14.34 110.702 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -109.3 -2.64 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.246 -0.888 . . . . 14.49 108.948 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -65.93 -14.31 61.33 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.217 -0.901 . . . . 15.04 110.953 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.449 ' HA ' ' HG3' ' A' ' 123' ' ' GLU . 20.4 ptmt -83.95 35.84 0.54 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.53 0.196 . . . . 12.69 111.53 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 34.6 m -49.76 -68.43 0.18 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.197 0.443 . . . . 11.01 112.197 -173.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.462 ' H ' ' HA3' ' A' ' 124' ' ' GLY . 6.0 p -148.26 -50.74 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 119.412 -0.915 . . . . 11.73 112.899 168.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.44 ' C ' ' HA2' ' A' ' 124' ' ' GLY . 17.9 ptpt -157.53 135.82 11.1 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 122.004 -0.435 . . . . 11.01 111.407 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.737 ' SG ' ' HB2' ' A' ' 125' ' ' HIS . 33.6 t -79.32 139.24 37.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.09 -0.504 . . . . 8.23 110.329 175.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.495 ' HB3' ' HB2' ' A' ' 127' ' ' ALA . 10.5 t80 -87.53 61.7 6.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.515 0.674 . . . . 8.32 109.492 175.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.418 ' HB3' ' HB2' ' A' ' 135' ' ' LYS . 31.2 p30 172.76 -38.04 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.451 -1.249 . . . . 9.46 110.063 173.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 117' ' ' CYS . 82.6 m -84.03 -22.18 31.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.092 0.472 . . . . 9.56 110.164 176.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 85.78 -22.5 11.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.877 -0.678 . . . . 9.05 112.388 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -141.85 156.33 45.54 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.212 -0.662 . . . . 13.0 109.212 -176.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 23.6 tt0 63.59 119.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.515 1.135 . . . . 12.54 110.148 -176.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.462 ' HA3' ' H ' ' A' ' 115' ' ' VAL . . . -76.33 57.06 3.28 Favored Glycine 0 C--O 1.235 0.218 0 N-CA-C 114.937 0.735 . . . . 11.87 114.937 -164.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.737 ' HB2' ' SG ' ' A' ' 117' ' ' CYS . 4.8 m170 -65.09 160.81 20.27 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.158 -1.053 . . . . 12.65 108.158 170.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.3 pt -99.27 124.65 52.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 N-CA-C 109.107 -0.701 . . . . 12.52 109.107 173.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' A' ' 118' ' ' PHE . . . -60.56 -19.6 57.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.518 -0.765 . . . . 9.79 112.386 -172.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -82.8 -7.81 59.63 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.675 -0.41 . . . . 13.48 110.947 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -121.86 -22.97 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.174 0.512 . . . . 15.0 110.695 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 48.8 t -80.17 116.39 20.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.108 -0.497 . . . . 11.89 110.183 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -88.5 99.9 12.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.38 . . . . 17.97 110.036 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.443 ' C ' ' H ' ' A' ' 134' ' ' ARG . . . -146.73 125.04 6.19 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.187 -0.46 . . . . 12.57 110.438 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.7 30.81 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.981 2.454 . . . . 14.02 112.58 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.443 ' H ' ' C ' ' A' ' 132' ' ' ALA . 1.9 tpm_? -103.76 -26.43 12.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.878 -0.601 . . . . 12.91 109.975 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.533 ' HG2' ' H ' ' A' ' 137' ' ' GLY . 52.7 tttm -71.59 -89.73 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.86 -0.609 . . . . 10.43 111.516 -173.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.591 ' HZ3' ' HB2' ' A' ' 136' ' ' LYS . 0.0 OUTLIER 55.25 24.65 6.58 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 122.849 0.46 . . . . 11.97 111.221 -176.198 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.533 ' H ' ' HG2' ' A' ' 135' ' ' LYS . . . 70.72 -64.91 0.85 Allowed Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 111.362 -0.695 . . . . 9.91 111.362 -171.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.542 ' HB3' ' HB3' ' A' ' 141' ' ' CYS . 68.8 m -87.57 117.38 26.34 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.213 -0.493 . . . . 12.01 109.77 175.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -69.64 -35.84 75.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.791 0.329 . . . . 11.32 110.403 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.477 ' C ' ' H ' ' A' ' 142' ' ' GLY . 85.2 tttt -97.23 -52.21 3.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.596 0.712 . . . . 16.43 109.958 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . 0.542 ' HB3' ' HB3' ' A' ' 138' ' ' CYS . 16.3 t -78.07 30.15 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.122 -0.945 . . . . 14.15 110.079 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 140' ' ' LYS . . . -72.21 73.81 0.87 Allowed Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.717 -0.674 . . . . 12.26 112.387 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -81.88 -73.67 0.38 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.487 -0.56 . . . . 16.11 109.487 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -115.73 -33.46 5.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.105 0.479 . . . . 14.2 110.895 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' A' ' 136' ' ' LYS . . . 137.67 99.48 0.51 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.882 -0.675 . . . . 13.35 111.607 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.524 ' O ' ' HA3' ' A' ' 137' ' ' GLY . 0.1 OUTLIER -133.04 -177.91 4.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.945 0.403 . . . . 15.6 110.161 -175.77 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -86.39 117.12 24.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.758 -0.655 . . . . 15.61 109.442 171.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.53 ' HA ' ' SG ' ' A' ' 138' ' ' CYS . 25.7 ttt -58.05 -32.19 67.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.888 -0.596 . . . . 13.85 111.936 -175.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -74.69 -31.94 62.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.799 0.296 . . . . 16.38 111.799 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -81.27 -22.97 38.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.967 0.413 . . . . 17.63 110.832 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 67.6 m -82.07 114.04 20.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.028 0.442 . . . . 16.07 111.235 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 25.4 m -87.6 122.36 31.2 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.502 -0.925 . . . . 19.18 108.502 170.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -56.38 136.86 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 19.35 111.567 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 61.39 63.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.136 -0.938 . . . . 23.86 111.111 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -136.94 128.86 29.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.484 -0.78 . . . . 22.71 109.916 173.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -117.1 59.61 0.76 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.101 -0.499 . . . . 23.3 110.65 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 47.1 t30 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.608 -0.711 . . . . 24.49 110.336 -179.543 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mtp . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.064 0.459 . . . . 21.1 110.512 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -139.83 127.82 22.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.529 -0.76 . . . . 22.21 109.453 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.433 ' C ' ' H ' ' A' ' 5' ' ' THR . 22.8 t -73.67 124.85 90.68 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 120.711 0.291 . . . . 17.6 110.244 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -78.41 27.1 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.815 2.343 . . . . 16.38 112.205 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.433 ' H ' ' C ' ' A' ' 3' ' ' SER . 5.6 m -98.03 -14.35 20.57 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.396 -0.82 . . . . 15.87 109.907 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -62.16 -17.06 56.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.22 -0.9 . . . . 13.69 111.602 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.405 HG13 HD22 ' A' ' 8' ' ' LEU . 17.3 pt -86.58 -18.69 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.875 -0.33 . . . . 12.44 111.267 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.405 HD22 HG13 ' A' ' 7' ' ' ILE . 2.6 mm? -84.75 -39.57 18.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.208 0.527 . . . . 13.42 109.664 175.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.49 ' O ' HD13 ' A' ' 10' ' ' ILE . 6.8 m-20 -80.62 -32.35 36.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.572 -0.74 . . . . 12.54 111.216 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.586 HD12 ' CD1' ' A' ' 25' ' ' PHE . 1.1 pp 29.39 50.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.359 1.064 . . . . 8.91 113.664 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.477 ' HG3' ' HB3' ' A' ' 9' ' ' ASP . 67.5 mtt180 -90.77 173.35 8.06 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.837 -0.801 . . . . 13.88 108.837 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 21' ' ' TYR . 41.1 tt0 -91.4 104.83 17.3 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.173 -0.611 . . . . 8.1 110.729 178.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.04 154.24 49.93 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 110.782 -0.927 . . . . 9.68 110.782 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' HB2' ' HG2' ' A' ' 86' ' ' ARG . 39.4 Cg_endo -66.51 1.27 2.71 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.531 2.154 . . . . 11.51 113.322 -175.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -119.57 3.14 11.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.625 -0.261 . . . . 13.85 111.458 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -91.36 120.11 68.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 111.778 0.288 . . . . 9.91 111.778 -168.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -71.49 142.31 40.27 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.903 2.402 . . . . 10.58 111.496 172.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.547 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 61.4 t80 -46.21 -57.84 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.17 0.804 . . . . 7.07 113.17 -172.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -53.6 -37.24 62.81 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.301 0.482 . . . . 14.51 112.301 -174.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 33.8 t70 -81.05 -43.87 18.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.022 0.439 . . . . 11.24 109.867 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 12' ' ' GLN . 5.5 t80 -50.75 -44.85 58.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.385 -0.825 . . . . 7.46 110.465 174.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 80.6 t -75.25 -33.83 29.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.249 -0.887 . . . . 6.96 110.658 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.57 -39.91 89.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.123 0.487 . . . . 11.68 110.298 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 25.5 mtp180 -69.08 -49.3 58.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.798 0.808 . . . . 11.78 109.394 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CD1' HD12 ' A' ' 10' ' ' ILE . 48.8 t80 -62.08 -28.36 69.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.197 -1.365 . . . . 7.02 111.435 -176.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -89.52 -32.5 17.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.806 0.336 . . . . 11.69 110.956 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 16.8 pttp -69.49 -27.82 65.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.559 -0.291 . . . . 13.74 110.888 -174.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -72.15 -30.97 65.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 10.18 110.407 174.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 76.7 mt -70.12 -35.5 74.15 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.155 -0.475 . . . . 9.09 111.008 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -81.52 -26.01 35.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.182 0.515 . . . . 14.84 110.428 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.79 -30.39 56.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.591 -0.731 . . . . 12.23 111.639 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -82.68 -163.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.698 0.285 . . . . 11.14 110.637 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -60.43 150.16 31.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.711 0.767 . . . . 11.89 110.66 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 36' ' ' GLN . . . -74.88 -20.38 59.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.946 -1.025 . . . . 12.28 112.656 -171.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.405 ' O ' ' HE2' ' A' ' 39' ' ' LYS . 4.6 m -41.71 95.99 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.986 0.804 . . . . 12.31 112.375 -177.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 22.7 mt-30 -80.91 -30.65 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 12.57 111.432 -174.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.41 -35.83 65.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 14.44 111.801 -175.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.2 t -80.35 -43.4 21.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.968 0.413 . . . . 11.92 110.339 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' ' 35' ' ' SER . 51.7 mtmt -70.98 -50.28 36.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 9.98 111.51 -171.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.423 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 7.2 m120 -60.5 -35.68 76.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.097 -0.501 . . . . 11.89 112.153 -174.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.71 -39.86 23.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.871 0.367 . . . . 11.87 111.049 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -64.8 -51.42 62.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 9.29 111.077 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.6 p -55.4 -27.71 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.938 0.718 . . . . 7.6 112.938 -174.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 40' ' ' ASN . 43.0 mt-10 -58.99 -54.82 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.203 0.525 . . . . 11.69 110.098 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.0 m -78.72 -33.21 46.94 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.597 -0.729 . . . . 11.45 110.704 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -59.8 -53.76 54.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 8.6 110.654 -178.219 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.05 -27.21 68.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.221 0.534 . . . . 6.14 110.539 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.3 t -81.42 -24.42 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.555 -0.748 . . . . 9.05 110.623 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -79.68 -48.49 13.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.782 -0.645 . . . . 12.79 111.101 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 11' ' ' ARG . 32.2 p-10 -94.17 14.23 20.76 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.18 0.437 . . . . 8.64 112.18 -174.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.12 166.55 17.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.853 0.358 . . . . 8.36 110.343 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.511 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 35.6 t30 -65.47 127.61 93.11 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 108.916 -0.772 . . . . 9.66 108.916 174.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.511 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 54.1 Cg_exo -37.63 -54.91 1.15 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.408 2.739 . . . . 12.29 113.4 -177.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.51 -42.11 98.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.643 0.735 . . . . 10.64 111.281 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.471 ' O ' HG12 ' A' ' 58' ' ' ILE . 42.7 t -62.41 -41.6 98.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.456 -1.247 . . . . 8.04 111.958 -173.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -78.8 -22.57 46.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.417 0.627 . . . . 10.04 110.29 177.453 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 29.5 m -68.83 -40.45 79.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.252 -0.885 . . . . 12.79 111.294 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.589 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.1 pt -65.39 -34.44 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.949 -0.301 . . . . 11.46 111.018 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.659 HD21 ' SG ' ' A' ' 75' ' ' CYS . 77.1 mt -57.82 -46.51 84.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.258 0.551 . . . . 11.84 110.916 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 57' ' ' THR . 18.1 ptmt -79.87 -19.45 48.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.677 -0.692 . . . . 15.11 110.484 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.55 -30.94 61.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.581 . . . . 15.64 110.606 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 74.5 mt -58.94 -39.5 81.81 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.207 -0.451 . . . . 15.72 110.875 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.66 -79.5 0.29 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.399 -0.905 . . . . 16.17 112.873 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -74.56 4.04 4.85 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.036 2.491 . . . . 18.15 113.122 -175.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.2 3.49 82.23 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.822 -0.704 . . . . 15.85 111.741 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.455 ' HB2' HD13 ' A' ' 62' ' ' LEU . . . 63.73 95.43 0.05 OUTLIER 'General case' 0 N--CA 1.461 0.097 0 CA-C-O 121.378 0.609 . . . . 14.46 111.197 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.8 m -65.21 -68.93 0.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.393 -0.822 . . . . 15.82 112.575 -173.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -136.21 -65.42 0.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.376 -0.53 . . . . 12.91 111.258 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -79.15 -24.06 43.55 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.413 -0.515 . . . . 16.53 109.927 -174.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -64.5 -51.84 60.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.367 -0.833 . . . . 15.56 109.857 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.427 ' N ' ' HB3' ' A' ' 66' ' ' ALA . 26.0 ptt? -68.7 -28.17 66.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.894 -0.594 . . . . 10.69 110.787 -177.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.547 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 40.1 ttp -71.14 -50.35 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.755 -0.461 . . . . 11.49 109.755 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.1 m -68.17 -33.24 74.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.513 -0.767 . . . . 12.19 111.454 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.12 -42.33 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.235 -0.439 . . . . 9.59 111.738 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.659 ' SG ' HD21 ' A' ' 59' ' ' LEU . 72.2 m -99.63 0.81 42.81 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.717 0.636 . . . . 7.45 112.717 -172.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -81.8 115.45 21.03 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.869 -0.733 . . . . 11.35 109.894 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.52 58.94 11.83 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.454 -0.794 . . . . 9.18 112.854 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.66 97.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 N-CA-C 109.806 -0.442 . . . . 8.24 109.806 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.46 20.14 78.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.923 -0.656 . . . . 10.49 111.586 -173.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.72 154.23 27.88 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.228 -0.749 . . . . 10.68 111.228 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.2 -66.4 0.05 OUTLIER 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.472 2.115 . . . . 12.52 111.94 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.13 52.51 3.18 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.753 -0.737 . . . . 11.58 112.044 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.407 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 14.3 p-80 -66.57 132.81 49.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.098 0.475 . . . . 11.24 111.3 -178.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.472 ' O ' HG12 ' A' ' 87' ' ' VAL . 22.5 ttmm -66.29 -18.24 65.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.8 -0.636 . . . . 12.52 110.68 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.97 -17.79 4.19 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 115.295 -0.866 . . . . 9.36 111.445 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.433 ' HG2' ' HB2' ' A' ' 14' ' ' PRO . 92.0 mtm180 -50.37 -45.35 55.19 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 111.67 0.248 . . . . 11.22 111.67 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 84' ' ' LYS . 13.9 p -71.08 -28.67 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.176 0.512 . . . . 8.17 110.535 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.464 ' O ' ' HG3' ' A' ' 92' ' ' MET . 92.5 mt -77.92 -48.05 17.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.646 -0.706 . . . . 9.0 110.032 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.506 ' HA ' ' HB2' ' A' ' 92' ' ' MET . . . -62.13 -26.75 68.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.519 -0.764 . . . . 7.69 110.869 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.97 -38.07 89.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.747 -0.66 . . . . 8.34 109.362 175.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 94' ' ' GLN . . . -83.55 -26.6 29.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 7.39 110.447 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.506 ' HB2' ' HA ' ' A' ' 89' ' ' ALA . 92.2 mtp -68.47 -20.49 64.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.015 -0.539 . . . . 10.64 110.806 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.1 m -55.9 -35.77 66.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.412 -0.358 . . . . 9.14 111.197 -178.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 91' ' ' ALA . 11.3 pt20 -85.86 -36.71 19.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.743 -0.208 . . . . 9.09 111.432 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.496 HG21 ' HA ' ' A' ' 92' ' ' MET . 3.2 m -74.18 -21.3 17.69 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 C-N-CA 120.753 -0.379 . . . . 10.49 110.826 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 t -80.67 11.89 3.51 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.83 0.348 . . . . 12.05 111.333 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -47.93 149.57 2.33 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.359 -0.382 . . . . 11.63 110.327 172.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.46 ' O ' HG12 ' A' ' 101' ' ' ILE . 11.6 Cg_endo -54.27 -14.44 6.58 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.93 3.087 . . . . 13.14 115.141 -168.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.97 -31.21 58.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.244 0.545 . . . . 11.54 110.224 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.2 m -87.92 -25.77 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.736 -0.665 . . . . 10.92 111.561 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 98' ' ' PRO . 35.7 pt -61.69 -23.76 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.071 0.462 . . . . 12.82 110.41 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 59.0 mtt -68.44 -28.23 66.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.534 -0.757 . . . . 13.52 109.999 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.6 mt -84.99 -34.95 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.965 -0.561 . . . . 11.63 109.987 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -63.28 -22.37 66.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.617 -0.72 . . . . 12.18 111.453 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.1 -42.19 89.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 14.52 110.296 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -81.82 -22.16 60.21 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.887 -0.673 . . . . 12.13 111.764 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.87 -23.62 61.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.97 0.414 . . . . 12.5 110.422 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -62.05 -24.33 67.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.028 -0.533 . . . . 15.06 110.822 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.62 -17.77 61.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.17 -0.468 . . . . 15.55 110.999 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 113' ' ' LYS . 34.6 m-80 57.21 -157.63 0.28 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.845 -0.616 . . . . 14.34 110.833 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -87.22 -39.57 15.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.518 -0.549 . . . . 14.49 109.518 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -154.07 60.53 0.71 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.568 -0.742 . . . . 15.04 110.784 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 110' ' ' ASN . 46.6 tptt -76.59 -82.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 12.69 110.217 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 26.2 m -86.77 -16.42 36.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.582 0.706 . . . . 11.01 110.018 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.57 23.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.446 -0.797 . . . . 11.73 110.986 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -90.1 126.23 35.71 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.407 0.622 . . . . 11.01 111.283 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.1 m -79.18 127.7 32.36 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.535 -0.757 . . . . 8.23 112.062 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -93.06 61.51 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.016 0.436 . . . . 8.32 109.876 173.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -177.23 -41.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.594 -0.73 . . . . 9.46 109.753 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 76.6 m -74.46 -5.1 40.64 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.206 0.527 . . . . 9.56 110.749 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 86.64 48.2 4.56 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.034 -0.603 . . . . 9.05 112.527 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 63.31 66.75 0.69 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.672 0.749 . . . . 13.0 110.662 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -118.14 164.24 15.44 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.794 -1.094 . . . . 12.54 109.39 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -85.33 49.64 4.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.255 -0.497 . . . . 11.87 113.786 -172.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.84 -171.17 2.79 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.188 -0.671 . . . . 12.65 109.188 173.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 39.2 pt -115.84 129.02 72.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.3 0.571 . . . . 12.52 110.407 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.97 -19.02 60.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.39 -0.823 . . . . 9.79 111.414 -176.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -73.86 -21.56 60.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.704 -0.68 . . . . 13.48 111.157 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -107.62 -23.2 12.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 15.0 110.644 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 78.9 m -82.81 122.03 27.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.514 -0.312 . . . . 11.89 111.123 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -86.92 100.08 12.32 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.989 -0.745 . . . . 17.97 108.989 170.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -156.48 135.9 8.16 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.696 -0.684 . . . . 12.57 110.108 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.95 109.81 0.37 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.069 2.513 . . . . 14.02 112.529 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.453 ' HG2' ' N ' ' A' ' 135' ' ' LYS . 54.2 ttp180 -81.05 159.73 24.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.809 -0.632 . . . . 12.91 110.331 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.453 ' N ' ' HG2' ' A' ' 134' ' ' ARG . 74.1 mmtt -75.19 -170.07 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.014 -0.539 . . . . 10.43 110.031 173.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -78.56 51.07 1.02 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.892 0.377 . . . . 11.97 110.942 -178.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 146' ' ' HIS . . . 75.14 -73.34 1.54 Allowed Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.864 -0.607 . . . . 9.91 111.876 -177.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.531 ' SG ' ' HA ' ' A' ' 148' ' ' MET . 71.6 m -82.39 147.0 29.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.834 0.349 . . . . 12.01 110.454 177.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -99.37 -48.03 4.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.134 -0.485 . . . . 11.32 110.499 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -78.67 -48.86 14.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.677 -0.86 . . . . 16.43 108.677 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 141' ' ' CYS . 26.6 t -85.45 28.35 0.75 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.084 -0.962 . . . . 14.15 109.327 177.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -70.97 93.02 0.48 Allowed Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.972 -0.632 . . . . 12.26 113.023 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -108.77 -84.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.741 0.271 . . . . 16.11 111.372 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -112.48 -35.16 5.64 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.197 0.443 . . . . 14.2 112.197 -176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 155.77 82.01 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.02 -1.086 . . . . 13.35 112.67 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.406 ' O ' ' HA3' ' A' ' 137' ' ' GLY . 0.0 OUTLIER -133.66 130.55 38.4 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.978 -0.749 . . . . 15.6 108.978 177.032 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -64.91 126.6 28.51 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.446 -0.575 . . . . 15.61 109.446 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.531 ' HA ' ' SG ' ' A' ' 138' ' ' CYS . 46.4 ttm -48.62 -46.55 39.87 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.205 0.817 . . . . 13.85 113.205 -168.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -74.76 -50.79 16.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.202 0.525 . . . . 16.38 110.721 -176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.05 -9.11 58.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.274 -0.875 . . . . 17.63 112.138 -174.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 49.1 t -57.26 109.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.196 0.522 . . . . 16.07 111.513 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 9.6 t -139.18 135.39 33.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.611 -0.722 . . . . 19.18 109.079 175.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -86.82 133.7 33.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.023 0.44 . . . . 19.35 111.943 -174.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -163.51 49.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.161 -0.927 . . . . 23.86 109.388 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -109.17 -62.47 1.48 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.319 -0.855 . . . . 22.71 109.328 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -82.82 -32.77 27.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.727 -0.669 . . . . 23.3 109.866 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.413 -0.803 . . . . 24.49 109.786 178.555 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtm . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 109.625 -0.509 . . . . 21.1 109.625 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -88.34 18.9 4.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 22.21 111.455 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.507 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 8.1 m -61.62 -52.67 67.75 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 116.295 -0.411 . . . . 17.6 111.584 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.507 ' HD3' ' HB2' ' A' ' 3' ' ' SER . 97.4 Cg_endo -84.01 18.57 1.51 Allowed 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 121.638 1.559 . . . . 16.38 112.479 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.494 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 25.3 m -92.67 -21.2 20.15 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.428 -0.805 . . . . 15.87 110.128 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.403 ' OG ' ' HG2' ' A' ' 24' ' ' ARG . 23.2 t -63.63 -17.25 62.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.683 -0.69 . . . . 13.69 110.3 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.1 mt -71.76 -36.94 60.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 115.566 -0.743 . . . . 12.44 110.773 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 5' ' ' THR . 4.5 pp -84.54 -18.56 35.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.368 0.604 . . . . 13.42 110.249 175.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 11' ' ' ARG . 30.6 t70 -92.45 26.89 2.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.688 0.756 . . . . 12.54 110.488 -176.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 pt -74.6 20.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.554 -0.748 . . . . 8.91 111.714 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.482 ' H ' ' C ' ' A' ' 9' ' ' ASP . 16.1 ptt180 -91.95 171.04 9.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.64 -0.709 . . . . 13.88 109.579 177.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.455 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 57.2 tt0 -104.54 120.34 41.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.829 0.347 . . . . 8.1 110.159 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.27 169.82 50.96 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.725 -0.75 . . . . 9.68 111.802 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -55.74 -33.53 88.08 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.298 2.665 . . . . 11.51 113.862 -175.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -118.85 9.43 12.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.006 0.431 . . . . 13.85 110.853 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' CD ' HH12 ' A' ' 24' ' ' ARG . 7.7 tt0 -75.32 126.35 87.87 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 115.761 -0.654 . . . . 9.91 110.854 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.86 139.2 51.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.477 2.118 . . . . 10.58 112.544 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.662 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 77.4 t80 -48.79 -61.06 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.026 0.38 . . . . 7.07 112.026 -176.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -62.47 -7.78 5.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.292 0.479 . . . . 14.51 112.292 -175.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.486 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 14.6 t70 -87.89 -48.38 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.974 -0.29 . . . . 11.24 110.391 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 4.5 p90 -75.2 -31.8 61.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.529 -0.468 . . . . 7.46 110.45 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.8 t -68.92 -24.95 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.999 -0.546 . . . . 6.96 109.763 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 23.3 t70 -67.61 -36.36 80.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.883 -0.599 . . . . 11.68 110.181 -178.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.541 ' CZ ' ' HA ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -75.87 -35.22 59.96 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.421 -0.585 . . . . 11.78 109.421 177.219 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 83.4 t80 -62.08 -35.69 79.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.357 -0.838 . . . . 7.02 110.001 176.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.538 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 62.6 t80 -74.29 -34.16 63.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.815 -0.629 . . . . 11.69 109.694 -177.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 56.0 mtpt -58.23 -53.43 58.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.442 -0.799 . . . . 13.74 111.159 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.586 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 11.5 t -71.61 -25.56 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.954 -0.298 . . . . 10.18 110.447 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 22.3 tp -65.72 -30.86 71.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 9.09 110.439 -177.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 40.3 mtm180 -73.09 -27.78 61.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 14.84 110.336 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.63 -52.06 5.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.908 -0.587 . . . . 12.23 111.553 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.4 pt-20 -86.15 29.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.076 0.465 . . . . 11.14 111.368 -175.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -73.13 -5.44 39.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 11.89 110.961 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.13 -52.84 62.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.786 -0.643 . . . . 12.28 110.444 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 m -82.03 75.18 8.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.325 -0.621 . . . . 12.31 109.325 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.58 -42.39 92.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 12.57 112.251 -171.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -55.92 -48.97 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.448 0.536 . . . . 14.44 112.448 -176.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -78.12 -30.64 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 111.994 0.368 . . . . 11.92 111.994 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -28.89 42.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.108 0.48 . . . . 9.98 110.249 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.28 -22.03 59.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.524 0.678 . . . . 11.89 109.244 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.517 ' O ' HG22 ' A' ' 45' ' ' THR . . . -82.64 -41.85 18.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.513 -0.767 . . . . 11.87 109.647 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.668 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -58.95 -38.31 78.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.382 -0.826 . . . . 9.29 111.742 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 t -65.84 -35.0 79.44 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.467 -0.493 . . . . 7.6 111.046 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -85.78 -57.91 2.86 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.688 -0.405 . . . . 11.69 111.959 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 41' ' ' ALA . 14.6 t -86.21 -30.66 22.23 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.347 0.499 . . . . 11.45 112.347 -172.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.668 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 29.5 tp -83.91 -37.68 22.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.432 -0.507 . . . . 8.6 111.723 -174.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.1 mt -58.98 -34.7 72.13 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.48 -0.488 . . . . 6.14 111.441 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.487 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 17.0 m -82.04 -26.26 9.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.803 0.335 . . . . 9.05 110.923 176.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.2 -51.5 17.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.456 -0.338 . . . . 12.79 110.199 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -81.21 2.76 26.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.572 -0.286 . . . . 8.64 111.445 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.455 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -68.98 166.58 17.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 8.36 110.691 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.698 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 38.7 t30 -62.5 127.33 89.88 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.044 -0.724 . . . . 9.66 109.044 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.526 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 50.5 Cg_exo -36.79 -53.53 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.944 3.096 . . . . 12.29 114.001 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.4 -36.48 81.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.938 0.399 . . . . 10.64 111.352 -175.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.698 ' SG ' ' HB3' ' A' ' 52' ' ' ASN . 61.2 m -63.61 -54.33 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.833 -0.621 . . . . 8.04 110.979 -177.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HD2' ' O ' ' A' ' 48' ' ' VAL . 2.9 pttt -68.37 -23.9 64.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.161 0.505 . . . . 10.04 110.476 -177.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.1 m -63.14 -41.52 99.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.684 -0.689 . . . . 12.79 111.11 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 55' ' ' CYS . 2.9 pp -83.8 -22.37 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.771 -0.372 . . . . 11.46 111.671 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.577 HD11 ' SG ' ' A' ' 75' ' ' CYS . 66.2 mt -58.1 -42.77 86.39 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.263 0.554 . . . . 11.84 110.731 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' HA ' ' HA2' ' A' ' 65' ' ' GLY . 17.7 ptmt -75.85 -21.75 56.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.893 -0.594 . . . . 15.11 110.543 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.22 -23.65 60.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 15.64 110.532 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.02 -24.87 66.05 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.013 -0.54 . . . . 15.72 110.552 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.35 -82.38 0.31 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.466 -0.874 . . . . 16.17 113.13 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.7 3.89 7.37 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.935 2.423 . . . . 18.15 113.432 -174.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' ' 60' ' ' LYS . . . 87.97 14.66 62.36 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.564 -0.827 . . . . 15.85 111.74 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.421 ' CB ' ' HB3' ' A' ' 71' ' ' MET . . . 68.75 112.19 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 O-C-N 124.44 0.729 . . . . 14.46 111.343 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.1 m -76.75 -67.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.343 -0.844 . . . . 15.82 112.153 -174.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -145.94 -64.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.787 -0.365 . . . . 12.91 110.789 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.32 -25.25 62.33 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.338 0.589 . . . . 16.53 109.948 -176.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.38 -54.97 24.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.008 -0.996 . . . . 15.56 109.789 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.421 ' HB3' ' CB ' ' A' ' 66' ' ' ALA . 19.9 ptm -70.45 -28.19 64.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.681 -0.69 . . . . 10.69 110.721 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.662 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 46.9 ttp -68.76 -38.68 80.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.269 0.556 . . . . 11.49 109.788 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.3 m -84.26 -35.62 23.27 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.062 -0.972 . . . . 12.19 111.209 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.03 -52.7 11.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.978 -0.555 . . . . 9.59 112.233 -174.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.577 ' SG ' HD11 ' A' ' 59' ' ' LEU . 77.5 m -63.34 -24.22 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.402 0.519 . . . . 7.45 112.402 -173.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -81.11 115.31 20.48 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.098 -0.641 . . . . 11.35 110.244 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.65 -46.19 1.2 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.65 -0.786 . . . . 9.18 112.703 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.36 117.39 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.923 0.392 . . . . 8.24 110.851 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.77 -12.9 61.05 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.916 -0.659 . . . . 10.49 111.749 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.1 -113.36 1.16 Allowed Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 121.01 -0.614 . . . . 10.68 112.593 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -85.38 52.0 3.13 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.873 2.382 . . . . 12.52 113.874 -174.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.63 90.49 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 119.685 -1.245 . . . . 11.58 113.735 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -73.16 77.59 1.27 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.223 0.535 . . . . 11.24 109.601 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 19.6 ptpt -84.83 13.94 5.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.058 -0.519 . . . . 12.52 111.741 -174.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.22 -37.16 79.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.115 0.483 . . . . 9.36 110.118 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -64.34 -38.65 91.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.579 -0.737 . . . . 11.22 110.196 175.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -69.9 -38.1 74.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.793 -0.64 . . . . 8.17 110.229 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 84' ' ' LYS . 89.9 mt -64.88 -50.46 66.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.95 -0.568 . . . . 9.0 110.343 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.77 -31.42 70.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.63 . . . . 7.69 110.332 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 13.0 tp10 -71.86 -40.85 68.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.806 -0.634 . . . . 8.34 110.37 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.19 -30.04 64.57 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.235 0.541 . . . . 7.39 110.004 -175.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.435 ' O ' HG21 ' A' ' 95' ' ' VAL . 92.4 mtp -64.78 -27.6 69.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.227 -0.897 . . . . 10.64 110.02 176.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.2 t -85.03 -22.72 28.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.73 -0.668 . . . . 9.14 110.594 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 80.6 mm-40 -84.01 -17.15 41.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.036 -0.529 . . . . 9.09 111.932 -175.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.435 HG21 ' O ' ' A' ' 92' ' ' MET . 35.1 m -55.89 -21.75 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 112.418 0.525 . . . . 10.49 112.418 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 m -67.43 -30.42 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.437 0.637 . . . . 12.05 110.188 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.434 ' C ' ' H ' ' A' ' 99' ' ' ALA . 4.8 m-20 -103.78 158.75 31.22 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.351 -0.84 . . . . 11.63 109.909 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.66 20.2 0.38 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.532 2.155 . . . . 13.14 112.585 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' A' ' 97' ' ' ASN . . . -74.14 -34.17 63.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 11.54 110.564 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.4 p -71.4 -26.84 62.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.694 0.759 . . . . 10.92 110.123 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 28.1 mm -76.57 -40.42 33.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.001 -1.0 . . . . 12.82 109.661 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.2 ttt -63.69 -44.33 94.02 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.049 -0.978 . . . . 13.52 111.148 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.5 tt -71.85 -25.5 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 11.63 110.459 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -61.5 -41.68 97.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 12.18 110.451 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -63.68 -33.01 74.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.935 -0.575 . . . . 14.52 110.256 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.56 -39.63 29.46 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.932 -0.652 . . . . 12.13 112.101 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.95 -25.88 66.56 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.776 0.322 . . . . 12.5 110.769 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.65 -39.74 89.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 15.06 109.959 174.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -83.75 -40.35 18.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 15.55 110.2 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 49.8 t30 71.63 -59.69 0.54 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.105 0.962 . . . . 14.34 111.704 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -72.29 121.48 19.5 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.431 -0.581 . . . . 14.49 109.431 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 74.4 mtt85 -124.88 -97.48 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.212 0.529 . . . . 15.04 112.022 -174.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' HB3' ' HD2' ' A' ' 122' ' ' LYS . 33.3 mtmm -84.1 33.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.786 -0.643 . . . . 12.69 112.531 -170.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.9 m -65.98 -66.48 0.54 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.143 -0.223 . . . . 11.01 111.305 -175.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.566 ' O ' ' HA3' ' A' ' 124' ' ' GLY . 3.3 t -134.87 21.94 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 CA-C-O 121.416 0.627 . . . . 11.73 110.077 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.641 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . 82.0 mttt -100.19 149.13 23.87 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 112.451 0.537 . . . . 11.01 112.451 -171.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.9 ' SG ' ' HB2' ' A' ' 125' ' ' HIS 0.255 44.0 m -64.88 161.11 19.01 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 129.2 3.0 . . . . 8.23 115.659 -176.381 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.456 ' HB3' ' O ' ' A' ' 122' ' ' LYS . 20.1 p90 -73.01 68.51 0.93 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 122.304 1.049 . . . . 8.32 109.239 170.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 174.07 -43.43 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 113.849 -1.523 . . . . 9.46 108.016 -168.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.641 ' SG ' ' HB3' ' A' ' 116' ' ' LYS . 7.3 p -113.38 -11.59 13.12 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.364 -0.835 . . . . 9.56 110.583 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.463 ' HA3' ' HB2' ' A' ' 116' ' ' LYS . . . -176.1 -51.49 0.06 OUTLIER Glycine 0 CA--C 1.54 1.62 0 N-CA-C 115.333 0.893 . . . . 9.05 115.333 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 118' ' ' PHE . 60.4 tttm -166.66 -66.16 0.03 OUTLIER 'General case' 0 C--N 1.345 0.406 0 CA-C-N 118.676 1.238 . . . . 13.0 112.349 -171.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 116' ' ' LYS . 12.7 pt-20 -176.95 6.09 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.346 1.239 . . . . 12.54 114.346 174.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.566 ' HA3' ' O ' ' A' ' 115' ' ' VAL . . . -59.95 -28.79 66.64 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 114.824 0.69 . . . . 11.87 114.824 -167.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.9 ' HB2' ' SG ' ' A' ' 117' ' ' CYS . 3.5 m170 -112.28 -147.16 0.41 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.595 -1.261 . . . . 12.65 107.595 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.523 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.1 OUTLIER -111.35 119.78 60.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.165 -0.68 . . . . 12.52 109.165 170.511 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.42 -19.87 57.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.466 -0.788 . . . . 9.79 112.06 -173.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -81.42 -13.67 57.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.384 -0.371 . . . . 13.48 111.603 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -102.52 -23.08 13.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.751 0.31 . . . . 15.0 111.149 -176.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 1.4 m -82.87 124.93 30.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.182 0.515 . . . . 11.89 111.11 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -94.69 100.29 12.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.698 0.761 . . . . 17.97 109.804 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 134' ' ' ARG . . . -133.2 164.73 41.91 Favored Pre-proline 0 C--N 1.316 -0.876 0 CA-C-N 115.289 -0.869 . . . . 12.57 109.326 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.67 1.0 3.52 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.269 1.979 . . . . 14.02 112.138 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.403 ' H ' ' C ' ' A' ' 132' ' ' ALA . 25.5 mtp-105 66.73 118.58 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 114.706 -1.134 . . . . 12.91 112.247 176.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -70.41 179.06 2.62 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.372 -0.973 . . . . 10.43 108.372 169.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -63.9 -79.74 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.869 -0.789 . . . . 11.97 108.869 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 63.98 164.18 0.69 Allowed Glycine 0 N--CA 1.45 -0.398 0 CA-C-O 121.715 0.619 . . . . 9.91 114.26 172.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 145' ' ' GLY . 16.8 t -122.02 103.38 8.77 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.289 -1.004 . . . . 12.01 108.289 173.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -79.27 12.62 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.269 0.557 . . . . 11.32 111.162 -173.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -101.27 -44.41 5.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.798 -0.637 . . . . 16.43 110.687 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 30.1 p -115.31 -18.14 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 14.15 110.545 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 97.71 9.11 55.18 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.644 -0.789 . . . . 12.26 113.658 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -79.24 179.11 7.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.487 0.643 . . . . 16.11 111.153 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -93.06 -24.06 18.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.957 -0.565 . . . . 14.2 111.557 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 138' ' ' CYS . . . -113.95 -128.86 4.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.529 -0.844 . . . . 13.35 112.489 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.477 ' HB2' ' SG ' ' A' ' 138' ' ' CYS . 17.1 m170 69.81 159.7 0.19 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.483 0.658 . . . . 15.6 111.537 178.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.85 -14.41 42.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.363 -0.835 . . . . 15.61 110.031 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 28.5 ttt 71.65 -49.34 0.68 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.192 -0.913 . . . . 13.85 111.681 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -62.82 -38.15 89.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.158 0.504 . . . . 16.38 110.452 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -82.23 -14.98 54.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.429 -0.805 . . . . 17.63 110.671 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 11.9 t -79.11 110.79 14.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.591 -0.731 . . . . 16.07 110.05 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 12.5 t -123.37 135.89 54.38 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.147 -0.479 . . . . 19.18 109.74 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.32 116.55 25.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.897 -0.408 . . . . 19.35 109.897 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -79.31 77.98 5.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.545 0.688 . . . . 23.86 111.157 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -118.02 124.44 48.14 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.826 -0.624 . . . . 22.71 110.104 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -93.06 90.97 7.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.169 -0.469 . . . . 23.3 110.843 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.477 -0.773 . . . . 24.49 110.533 -179.515 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.38 0.133 . . . . 21.1 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.4 t80 56.08 72.29 0.5 Allowed 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.542 0.526 . . . . 22.21 109.661 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 p -60.64 123.91 76.49 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.35 -0.841 . . . . 17.6 111.179 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.64 161.52 39.47 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.441 2.094 . . . . 16.38 111.646 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 m -74.6 -17.78 60.66 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.714 -0.676 . . . . 15.87 110.48 -176.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.459 ' HB3' ' HH ' ' A' ' 21' ' ' TYR . 20.3 m -60.31 -16.34 33.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.439 -0.8 . . . . 13.69 111.66 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.4 mt -69.58 -44.94 79.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.856 0.36 . . . . 12.44 110.615 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 pp -84.96 -29.52 25.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.144 0.497 . . . . 13.42 110.304 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.612 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 32.4 t70 -92.77 29.54 1.76 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.65 -0.705 . . . . 12.54 109.943 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.444 HD12 ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -53.05 85.34 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 113.813 1.042 . . . . 8.91 113.813 -177.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 2.4 ppt_? -135.68 131.61 35.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 13.88 110.108 173.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 13' ' ' GLY . 46.6 tt0 -75.44 135.09 40.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.947 -0.57 . . . . 8.1 112.04 -172.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.414 ' O ' ' HG2' ' A' ' 12' ' ' GLN . . . -100.39 -172.89 29.71 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.036 -0.825 . . . . 9.68 111.036 172.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.61 -13.55 20.14 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.793 2.329 . . . . 11.51 113.379 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -107.47 -34.48 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 13.85 111.546 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.629 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 2.9 tp10 -74.27 125.81 89.6 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.154 -0.476 . . . . 9.91 110.848 -177.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.36 131.8 31.34 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.491 2.127 . . . . 10.58 111.845 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.524 ' H ' ' HB3' ' A' ' 76' ' ' GLN . 70.4 t80 -45.07 -60.09 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.699 0.629 . . . . 7.07 112.699 -173.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -61.15 -22.76 65.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.668 0.271 . . . . 14.51 111.681 -174.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.03 -43.95 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.78 -0.452 . . . . 11.24 109.78 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.629 ' CD1' ' HG2' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -71.01 -38.73 72.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 7.46 109.888 177.103 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 18' ' ' PHE . 88.1 t -63.96 -25.38 38.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.572 -0.74 . . . . 6.96 110.582 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 36.7 t70 -54.01 -47.34 71.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.324 -0.398 . . . . 11.68 110.856 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -26.76 23.51 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.604 -0.438 . . . . 11.78 110.898 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.444 ' CE2' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -59.38 -37.9 79.15 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.581 0.705 . . . . 7.02 109.864 173.129 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.529 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 67.0 t80 -77.12 -31.42 55.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.431 -0.804 . . . . 11.69 110.065 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 29.6 mmmt -60.16 -49.45 77.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.551 -0.749 . . . . 13.74 111.395 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -65.99 -25.09 66.93 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.872 0.368 . . . . 10.18 110.595 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.431 HD21 ' O ' ' A' ' 25' ' ' PHE . 3.5 mm? -72.93 -25.6 61.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 9.09 110.836 176.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.612 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 24.4 mmm180 -74.72 -21.2 59.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.084 0.469 . . . . 14.84 110.472 178.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.88 -46.95 61.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.065 -0.516 . . . . 12.23 110.621 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 11.6 pt-20 -87.46 46.46 1.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.98 -0.555 . . . . 11.14 111.775 -176.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.6 mm100 -56.38 -19.78 16.34 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.267 0.469 . . . . 11.89 112.267 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.36 -40.37 58.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.124 0.416 . . . . 12.28 112.124 -172.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.651 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 23.8 m -82.6 54.86 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.698 0.258 . . . . 12.31 111.698 -176.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -56.09 -44.45 79.04 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.352 0.501 . . . . 12.57 112.352 -174.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.85 -29.49 70.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.037 0.446 . . . . 14.44 110.829 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.4 t -80.21 -41.79 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.895 -0.593 . . . . 11.92 110.208 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.651 ' HG3' ' O ' ' A' ' 35' ' ' SER . 43.5 mtpt -59.39 -41.14 88.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.705 -0.679 . . . . 9.98 111.795 -175.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -55.67 -47.97 75.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 11.89 110.998 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.04 -27.06 35.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.192 -0.458 . . . . 11.87 111.054 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -72.3 -48.29 43.4 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.993 -0.549 . . . . 9.29 112.105 -176.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 p -57.66 -49.35 76.77 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.088 0.47 . . . . 7.6 111.841 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.01 -34.71 78.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.548 -0.751 . . . . 11.69 111.961 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -87.05 -40.4 14.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.856 0.36 . . . . 11.45 110.988 -177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 1.7 mm? -69.21 -47.37 64.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.597 -0.729 . . . . 8.6 112.418 -174.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 98.5 mt -61.69 -30.56 70.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.117 0.485 . . . . 6.14 110.148 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.439 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 51.0 t -82.03 -37.36 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.551 -0.75 . . . . 9.05 111.174 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -70.55 -46.44 63.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.494 -0.321 . . . . 12.79 110.625 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -87.47 16.2 5.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.043 -0.526 . . . . 8.64 111.573 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . -84.6 166.01 17.51 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.892 -0.41 . . . . 8.36 109.892 174.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.598 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 45.9 t30 -63.86 128.23 92.63 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.174 -0.676 . . . . 9.66 109.174 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.514 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 45.4 Cg_exo -37.35 -53.9 1.25 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.607 2.871 . . . . 12.29 113.677 -177.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.66 -42.16 92.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.475 0.655 . . . . 10.64 110.951 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' A' ' 52' ' ' ASN . 63.8 m -66.46 -44.78 81.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.815 -1.084 . . . . 8.04 111.839 -174.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HD2' ' O ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -75.44 -23.29 56.91 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.254 -0.578 . . . . 10.04 110.398 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.553 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 49.0 m -65.59 -42.01 92.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.438 -0.801 . . . . 12.79 111.487 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.9 pt -75.01 -27.53 20.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 O-C-N 122.132 -0.355 . . . . 11.46 111.452 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 66.4 mt -52.52 -44.22 65.6 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 111.966 0.358 . . . . 11.84 111.966 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 57' ' ' THR . 9.9 ptmm? -73.89 -21.07 60.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 15.11 110.632 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.99 -12.62 60.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.066 -0.516 . . . . 15.64 110.826 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.8 mt -73.16 -27.42 61.65 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.403 -0.362 . . . . 15.72 110.538 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.04 -79.06 0.38 Allowed Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.488 -0.863 . . . . 16.17 112.932 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -79.77 8.19 4.15 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.965 2.444 . . . . 18.15 112.552 -176.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.27 23.11 66.41 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.639 -0.709 . . . . 15.85 111.485 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 69.41 111.06 0.05 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.611 0.719 . . . . 14.46 111.211 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.4 m -70.82 -78.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.076 -0.965 . . . . 15.82 111.898 -176.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.444 ' O ' ' HG2' ' A' ' 71' ' ' MET . 2.9 tm? -137.88 -64.43 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.734 -0.386 . . . . 12.91 110.869 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.0 -25.28 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.208 0.528 . . . . 16.53 109.663 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -64.48 -54.06 38.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.17 -0.923 . . . . 15.56 109.863 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 26.8 ptm -63.47 -30.39 71.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.916 -0.583 . . . . 10.69 110.563 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.487 ' HA ' ' CD2' ' A' ' 18' ' ' PHE . 58.5 ttp -73.83 -48.54 30.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.772 -0.649 . . . . 11.49 110.41 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.8 m -78.54 -38.25 40.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.169 -0.923 . . . . 12.19 112.09 -174.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' O ' ' HA ' ' A' ' 78' ' ' VAL . . . -66.39 -37.37 85.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.284 0.475 . . . . 9.59 112.284 -173.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 64.2 m -76.88 -32.69 57.65 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.948 0.351 . . . . 7.45 111.948 -175.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.524 ' HB3' ' H ' ' A' ' 18' ' ' PHE . 12.3 pt20 -86.64 116.38 24.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.272 0.558 . . . . 11.35 110.381 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.13 -12.96 58.85 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.141 -0.784 . . . . 9.18 111.141 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 74' ' ' ALA . 58.9 t 55.14 94.56 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 123.619 0.768 . . . . 8.24 111.412 -177.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.18 -14.68 28.28 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.31 -0.859 . . . . 10.49 111.436 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.01 128.98 5.94 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.912 -0.661 . . . . 10.68 112.409 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.41 3.53 4.1 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.815 2.343 . . . . 12.52 112.343 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.12 -2.38 88.85 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.045 -0.598 . . . . 11.58 111.978 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -75.83 138.09 40.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.693 -0.855 . . . . 11.24 108.693 173.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.5 ' O ' HG11 ' A' ' 87' ' ' VAL . 54.2 tptt -112.21 -70.02 0.83 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.705 -0.398 . . . . 12.52 110.863 178.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.98 79.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.865 0.364 . . . . 9.36 111.646 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -81.25 -21.62 39.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.965 0.357 . . . . 11.22 111.965 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.5 HG11 ' O ' ' A' ' 84' ' ' LYS . 5.5 p -85.12 -35.66 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.198 -0.601 . . . . 8.17 110.443 -178.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 89' ' ' ALA . 4.4 pp -71.67 -39.02 70.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.025 0.44 . . . . 9.0 109.983 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' N ' HD11 ' A' ' 88' ' ' LEU . . . -67.61 -32.47 73.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.822 -0.626 . . . . 7.69 110.057 175.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.35 -43.39 64.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.654 -0.703 . . . . 8.34 111.096 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.53 73.78 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.645 0.736 . . . . 7.39 109.696 -175.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 13.9 tpt -69.57 -43.98 71.77 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.616 -1.174 . . . . 10.64 110.195 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.8 t -72.11 -30.4 65.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.645 -0.707 . . . . 9.14 111.014 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -64.96 -25.68 67.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.134 0.492 . . . . 9.09 111.174 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.49 -28.63 10.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.87 -0.605 . . . . 10.49 110.991 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 p -95.28 -15.92 22.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.981 0.42 . . . . 12.05 111.801 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.405 ' C ' ' H ' ' A' ' 99' ' ' ALA . 94.6 m-20 -75.71 150.98 84.55 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.322 -0.399 . . . . 11.63 110.312 176.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -71.62 44.1 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.109 2.54 . . . . 13.14 112.145 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 97' ' ' ASN . . . -69.27 -15.75 63.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.847 -0.615 . . . . 11.54 110.347 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.4 p -71.24 -40.04 71.3 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.707 -0.679 . . . . 10.92 110.252 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.0 pt -86.07 -21.51 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.867 -0.606 . . . . 12.82 110.375 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.404 ' O ' ' HB3' ' A' ' 105' ' ' LYS . 54.6 ttp -66.1 -41.71 90.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.916 -0.584 . . . . 13.52 110.721 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.0 tt -68.86 -29.14 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.999 0.428 . . . . 11.63 110.341 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -68.67 -25.68 64.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.262 0.553 . . . . 12.18 110.039 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 102' ' ' MET . 29.4 tptp -71.95 -27.39 62.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.542 -0.754 . . . . 14.52 109.515 174.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.64 -30.51 43.99 Favored Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 111.134 -0.786 . . . . 12.13 111.134 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -68.64 -16.74 63.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.718 0.294 . . . . 12.5 110.436 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.35 -26.02 64.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 15.06 110.689 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -64.93 -25.26 67.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.108 0.48 . . . . 15.55 110.419 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -96.15 -18.58 20.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.904 -0.589 . . . . 14.34 110.246 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -69.64 88.93 0.52 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.793 -0.64 . . . . 14.49 110.939 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.482 ' O ' HG11 ' A' ' 115' ' ' VAL . 29.8 mmt180 -112.91 -55.97 2.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.163 -0.471 . . . . 15.04 110.238 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -84.02 -31.06 25.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.215 0.531 . . . . 12.69 110.502 174.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.634 ' HA ' ' CD2' ' A' ' 125' ' ' HIS . 12.9 t -85.75 -13.3 48.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.75 -0.659 . . . . 11.01 111.812 -176.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.482 HG11 ' O ' ' A' ' 112' ' ' ARG . 14.7 p -57.65 -43.73 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.893 0.377 . . . . 11.73 111.436 -176.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 125' ' ' HIS . 36.4 mtmm -97.89 109.06 21.88 Favored 'General case' 0 C--O 1.205 -1.243 0 N-CA-C 108.564 -0.902 . . . . 11.01 108.564 174.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.721 ' SG ' ' HB3' ' A' ' 125' ' ' HIS . 40.1 t -137.53 151.48 48.46 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 122.581 0.352 . . . . 8.23 111.665 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.41 ' O ' ' HB2' ' A' ' 119' ' ' ASN . 7.6 t80 -86.89 61.15 6.64 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.734 -1.21 . . . . 8.32 107.734 168.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 118' ' ' PHE . 41.3 t30 164.89 -64.45 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.353 -1.294 . . . . 9.46 110.889 -176.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 13.5 p -102.37 28.27 6.07 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.365 0.602 . . . . 9.56 110.287 -170.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 169.62 -116.94 0.68 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.682 -0.771 . . . . 9.05 113.058 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.658 ' N ' ' H ' ' A' ' 117' ' ' CYS . 5.5 tmtt? -102.19 -67.81 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.432 0.901 . . . . 13.0 113.432 -171.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -155.44 -62.05 0.11 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.403 1.26 . . . . 12.54 114.403 -175.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.449 ' H ' ' HB3' ' A' ' 116' ' ' LYS . . . -80.08 49.53 3.77 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 115.665 1.026 . . . . 11.87 115.665 -162.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.721 ' HB3' ' SG ' ' A' ' 117' ' ' CYS . 22.6 t-80 -130.04 -175.53 3.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.102 -1.073 . . . . 12.65 108.102 174.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.544 ' H ' ' CG ' ' A' ' 125' ' ' HIS . 0.2 OUTLIER -120.14 96.79 4.53 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-O 121.491 0.662 . . . . 12.52 109.798 -177.575 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.529 ' HA ' ' SG ' ' A' ' 130' ' ' CYS . . . -49.64 -20.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.984 -1.007 . . . . 9.79 112.724 176.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -77.02 -17.9 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.803 0.297 . . . . 13.48 111.803 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -114.88 -5.03 12.57 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.314 0.487 . . . . 15.0 112.314 -175.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' A' ' 127' ' ' ALA . 2.5 p -104.99 144.84 31.26 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.284 -0.566 . . . . 11.89 110.918 176.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.457 ' N ' ' HD3' ' A' ' 131' ' ' ARG . 0.3 OUTLIER -100.18 99.5 10.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.809 -0.632 . . . . 17.97 109.488 -178.586 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -163.42 116.47 1.07 Allowed Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.963 -0.562 . . . . 12.57 110.499 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.08 40.3 0.92 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.811 2.34 . . . . 14.02 111.987 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -90.4 -25.68 20.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.074 -0.512 . . . . 12.91 110.532 -176.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -71.9 94.18 1.42 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.567 0.698 . . . . 10.43 110.063 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -119.59 13.82 12.59 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.719 -1.128 . . . . 11.97 109.092 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 146' ' ' HIS . . . 106.08 -82.94 0.34 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.556 -1.018 . . . . 9.91 110.556 -172.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.623 ' SG ' ' HB3' ' A' ' 146' ' ' HIS . 75.1 m -90.97 144.06 26.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.822 0.344 . . . . 12.01 110.188 174.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 6.6 m-90 -103.21 -1.4 28.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.237 -0.438 . . . . 11.32 110.704 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -112.65 -56.56 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.382 . . . . 16.43 110.993 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.88 -1.03 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.103 -0.499 . . . . 14.15 111.688 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . 0.614 ' CA ' ' HB2' ' A' ' 138' ' ' CYS . . . -67.26 -62.22 4.58 Favored Glycine 0 CA--C 1.504 -0.637 0 C-N-CA 120.407 -0.901 . . . . 12.26 112.313 -173.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt 61.18 -73.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 123.493 0.717 . . . . 16.11 111.203 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -115.2 -34.62 4.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.302 -0.408 . . . . 14.2 110.105 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.47 ' O ' ' HB2' ' A' ' 146' ' ' HIS . . . -130.02 -143.34 5.39 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.388 -0.91 . . . . 13.35 113.37 -173.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.623 ' HB3' ' SG ' ' A' ' 138' ' ' CYS . 34.4 m170 73.25 129.44 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.683 0.754 . . . . 15.6 111.045 -174.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -85.81 -8.18 58.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.58 -0.736 . . . . 15.61 110.437 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 22.6 ttt 70.96 -54.73 0.66 Allowed 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.989 0.806 . . . . 13.85 111.011 -177.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -64.72 -33.55 76.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.029 0.443 . . . . 16.38 111.272 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -93.62 -8.6 40.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.377 0.608 . . . . 17.63 110.089 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 44.2 t -86.09 110.83 19.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.773 -0.649 . . . . 16.07 110.927 -174.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 26.2 m -103.26 114.05 28.03 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.222 -0.658 . . . . 19.18 109.222 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.8 109.73 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.07 0.462 . . . . 19.35 110.693 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -95.88 103.85 15.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.924 -0.58 . . . . 23.86 110.078 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -74.73 132.59 41.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.889 -0.596 . . . . 22.71 110.586 -178.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -91.52 108.61 20.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.081 -0.509 . . . . 23.3 110.251 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.72 -0.657 . . . . 24.49 110.299 -178.084 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.009 -0.367 . . . . 21.1 110.009 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 64.77 -82.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.677 0.61 . . . . 22.21 111.77 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p 46.26 92.72 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.412 0 C-N-CA 123.837 0.855 . . . . 17.6 112.33 -177.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.29 37.62 0.56 Allowed 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.728 2.286 . . . . 16.38 112.357 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.5 m -64.16 -45.41 88.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.83 -0.623 . . . . 15.87 111.406 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 10' ' ' ILE . 20.0 m -59.26 -15.97 18.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.119 -0.491 . . . . 13.69 111.883 -176.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.402 HD11 ' N ' ' A' ' 7' ' ' ILE . 2.8 mp -81.88 -50.68 16.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.525 -0.307 . . . . 12.44 110.636 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.74 -28.87 24.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.072 0.463 . . . . 13.42 111.498 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' A' ' 11' ' ' ARG . 25.1 t70 -90.39 27.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.9 -0.591 . . . . 12.54 110.942 -174.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 6' ' ' SER . 1.7 pp -69.23 10.54 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 116.204 -0.453 . . . . 8.91 112.033 177.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.56 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 1.1 ppt_? -70.94 144.84 50.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.107 -0.497 . . . . 13.88 109.908 176.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.51 ' HG3' ' H ' ' A' ' 13' ' ' GLY . 12.0 tp60 -140.56 172.49 12.64 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.133 -0.627 . . . . 8.1 112.471 -170.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.51 ' H ' ' HG3' ' A' ' 12' ' ' GLN . . . -113.3 -177.64 19.48 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 114.977 -1.01 . . . . 9.68 111.449 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 92.2 Cg_endo -78.64 0.8 9.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 11.51 112.279 -178.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -99.25 7.55 45.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.519 -0.764 . . . . 13.85 111.137 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -120.93 128.98 25.51 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.365 -0.38 . . . . 9.91 110.293 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.62 138.01 84.05 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.909 2.406 . . . . 10.58 112.929 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.598 ' HA ' ' CE1' ' A' ' 21' ' ' TYR . 76.6 t80 -45.02 -61.18 1.72 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.651 0.594 . . . . 7.07 111.896 -175.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.95 -15.03 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 14.51 111.784 -172.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.82 -48.41 16.57 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.397 -0.223 . . . . 11.24 110.397 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 18' ' ' PHE . 28.5 p90 -81.08 -17.16 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.504 0.668 . . . . 7.46 111.107 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 18' ' ' PHE . 99.2 t -78.49 -24.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 115.571 -0.741 . . . . 6.96 109.403 172.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.74 -39.84 84.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.282 0.563 . . . . 11.68 109.918 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.57 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -72.6 -37.92 67.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.296 -0.865 . . . . 11.78 109.512 178.653 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.568 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 36.3 t80 -62.46 -32.67 73.59 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.183 -0.917 . . . . 7.02 110.782 175.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -84.18 -19.02 34.77 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.853 -0.339 . . . . 11.69 110.757 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HD2' ' HA ' ' A' ' 24' ' ' ARG . 11.4 ptmt -75.67 -25.06 56.44 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.087 0.47 . . . . 13.74 109.986 -176.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.569 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 7.7 t -85.1 -29.53 24.78 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.092 -0.504 . . . . 10.18 110.021 172.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 80.8 mt -73.44 -36.2 65.87 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.295 -0.411 . . . . 9.09 110.981 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -69.57 -23.76 63.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.281 0.562 . . . . 14.84 110.055 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.03 -56.23 5.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.405 -0.816 . . . . 12.23 109.939 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.6 pt-20 -87.93 39.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.166 0.507 . . . . 11.14 110.556 176.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -68.14 -8.98 43.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 11.89 111.834 -175.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.37 -56.66 18.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 12.28 110.788 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -83.89 97.69 9.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.035 0.445 . . . . 12.31 110.558 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -72.43 -26.13 61.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.986 0.422 . . . . 12.57 110.574 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.03 -40.29 87.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.674 . . . . 14.44 111.038 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.6 t -68.85 -39.85 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.18 -0.464 . . . . 11.92 110.502 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -61.34 -44.26 97.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.117 0.484 . . . . 9.98 110.697 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -58.01 -49.08 78.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.5 -0.773 . . . . 11.89 110.926 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.27 85.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.077 -0.51 . . . . 11.87 110.988 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -65.17 -50.65 65.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.964 -0.562 . . . . 9.29 111.439 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 p -57.6 -33.17 67.93 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.542 0.571 . . . . 7.6 112.542 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -85.12 -59.64 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.452 0.538 . . . . 11.69 112.452 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.7 m -83.91 -36.75 23.1 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.391 0.515 . . . . 11.45 112.391 -172.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.431 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 2.7 tm? -88.15 -39.69 14.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.309 -0.405 . . . . 8.6 111.096 -171.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.48 HD12 ' CD1' ' A' ' 25' ' ' PHE . 63.8 tp -62.69 -37.33 86.01 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.905 0.383 . . . . 6.14 111.14 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.7 -26.6 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.074 0.464 . . . . 9.05 110.305 176.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -66.87 -48.83 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.978 -0.555 . . . . 12.79 110.773 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.473 ' OD1' ' HA ' ' A' ' 47' ' ' LEU . 3.2 p-10 -78.59 1.06 23.89 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.239 -0.437 . . . . 8.64 111.336 -177.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.45 153.31 21.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.624 -0.51 . . . . 8.36 109.624 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.486 ' HB2' ' HA2' ' A' ' 13' ' ' GLY . 8.7 t30 -66.87 137.12 94.66 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.125 -0.489 . . . . 9.66 109.884 176.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -37.09 -49.61 1.58 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 124.081 3.187 . . . . 12.29 114.136 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -63.42 -29.45 70.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.046 0.451 . . . . 10.64 111.772 -174.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 14' ' ' PRO . 24.8 m -83.48 -42.89 16.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.805 -0.634 . . . . 8.04 111.181 -177.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -77.19 -34.78 56.15 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.292 -0.413 . . . . 10.04 111.714 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.3 t -56.59 -32.34 65.14 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.374 -0.376 . . . . 12.79 111.395 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.5 pt -85.6 -38.13 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.718 -0.393 . . . . 11.46 110.985 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.9 mt -50.68 -46.36 58.66 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.027 0.38 . . . . 11.84 112.027 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -71.03 -25.22 62.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.294 -0.412 . . . . 15.11 111.475 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.41 -33.09 23.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.132 0.492 . . . . 15.64 110.397 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 66' ' ' ALA . 84.1 mt -73.12 -43.06 62.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.639 -0.71 . . . . 15.72 111.473 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.402 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -27.29 -60.97 0.1 OUTLIER Glycine 0 N--CA 1.467 0.75 0 O-C-N 124.365 1.041 . . . . 16.17 115.492 -174.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 63' ' ' GLY . 3.9 Cg_endo -46.17 -56.44 2.89 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.298 2.666 . . . . 18.15 114.179 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.63 -12.61 37.4 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.158 -1.02 . . . . 15.85 113.105 -174.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 62' ' ' LEU . . . -97.25 133.47 41.84 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.269 0.556 . . . . 14.46 111.53 -176.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.2 p -87.38 -179.63 6.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.372 -0.831 . . . . 15.82 109.526 172.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.6 -45.95 88.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.643 0.258 . . . . 12.91 110.381 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 9.3 pt-20 -60.49 -42.24 95.91 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.392 0.516 . . . . 16.53 112.392 -174.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.41 ' HG3' ' HB3' ' A' ' 66' ' ' ALA . 11.4 pt-20 -84.95 -20.66 30.28 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.311 -0.556 . . . . 15.56 111.765 -172.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.8 ptp -84.95 -30.56 24.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.827 -0.434 . . . . 10.69 109.827 173.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.3 ttp -64.97 -51.25 62.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.74 -0.663 . . . . 11.49 109.975 175.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.3 m -66.28 -22.88 66.31 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.144 -0.935 . . . . 12.19 110.913 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.48 -28.57 52.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.021 -0.536 . . . . 9.59 111.98 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.44 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 65.8 m -97.24 -13.17 22.18 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.844 0.312 . . . . 7.45 111.844 -175.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -80.09 116.64 20.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.279 0.562 . . . . 11.35 109.934 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.51 58.59 9.05 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.858 -0.687 . . . . 9.18 111.784 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.3 t -61.21 110.31 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.547 -0.538 . . . . 8.24 109.547 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.472 ' O ' ' HB2' ' A' ' 83' ' ' HIS . . . 111.22 3.65 27.63 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.596 -0.811 . . . . 10.49 111.864 -175.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 86' ' ' ARG . . . -79.53 -88.25 0.5 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.58 -0.819 . . . . 10.68 112.292 175.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.97 134.34 61.67 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.792 2.328 . . . . 12.52 112.539 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.52 -6.24 82.77 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.078 -0.582 . . . . 11.58 112.179 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 79' ' ' GLY . 45.6 m-70 -125.59 158.3 34.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.804 -0.443 . . . . 11.24 109.804 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -86.8 -7.3 58.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.908 0.385 . . . . 12.52 110.438 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.675 ' O ' ' HG ' ' A' ' 88' ' ' LEU . . . -64.67 -20.36 66.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.203 0.525 . . . . 9.36 110.232 175.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 80' ' ' GLY . 73.8 ttt180 -62.55 -19.25 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.794 -0.639 . . . . 11.22 110.958 178.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.2 t -77.83 -39.54 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.175 0.512 . . . . 8.17 109.929 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 85' ' ' ALA . 4.0 pp -77.49 -36.88 52.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.729 -0.668 . . . . 9.0 109.473 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.61 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.419 -0.809 . . . . 7.69 110.387 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -63.62 -36.89 85.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 8.34 110.731 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.58 -33.63 31.49 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.296 0.569 . . . . 7.39 109.906 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.406 ' HA ' HG21 ' A' ' 95' ' ' VAL . 59.6 mtt -68.96 -20.56 64.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.348 -0.842 . . . . 10.64 110.41 176.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.3 t -58.79 -32.21 69.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.931 0.395 . . . . 9.14 110.485 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -78.13 -34.61 49.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 9.09 111.072 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.406 HG21 ' HA ' ' A' ' 92' ' ' MET . 17.6 m -80.96 -22.7 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.524 -0.47 . . . . 10.49 111.265 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.0 p -93.64 9.91 34.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.114 0.483 . . . . 12.05 110.694 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -60.73 137.83 93.2 Favored Pre-proline 0 N--CA 1.453 -0.289 0 N-CA-C 108.879 -0.786 . . . . 11.63 108.879 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.86 -16.57 38.88 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.8 2.333 . . . . 13.14 113.494 -174.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.03 -25.53 27.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.234 0.54 . . . . 11.54 110.205 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.6 m -87.47 -49.73 7.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.718 -0.674 . . . . 10.92 110.675 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 28.5 pt -65.83 -26.78 39.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.021 -0.536 . . . . 12.82 111.077 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.2 ttt -64.35 -35.01 79.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 13.52 110.647 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 47.7 mm -71.66 -53.88 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.898 -0.592 . . . . 11.63 110.754 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.33 -26.01 67.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 12.18 110.752 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.518 ' O ' ' HG3' ' A' ' 109' ' ' ARG . 23.5 tptm -63.29 -31.03 72.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.239 -0.437 . . . . 14.52 110.419 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.85 -50.51 66.92 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.046 -0.597 . . . . 12.13 112.376 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 3.2 p-10 -81.63 -17.37 48.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.704 0.287 . . . . 12.5 110.511 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -69.85 -22.95 63.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.041 0.448 . . . . 15.06 109.949 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 83.6 mtm180 -61.84 -54.8 37.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.776 -0.647 . . . . 15.55 109.956 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -154.03 129.87 10.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.923 -0.581 . . . . 14.34 109.525 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 107' ' ' ASN . 8.3 tp-100 -160.41 121.43 3.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.141 -0.481 . . . . 14.49 109.85 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 62.17 -174.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.132 0.492 . . . . 15.04 110.504 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 66.1 mttm -83.6 34.06 0.48 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.444 -0.344 . . . . 12.69 111.588 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.4 t -71.86 -13.3 61.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.185 0.516 . . . . 11.01 110.695 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.78 -8.17 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 115.539 -0.755 . . . . 11.73 111.682 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 18.9 ptpt -91.84 136.48 33.12 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.929 -0.767 . . . . 11.01 108.929 173.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.49 110.2 5.94 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.775 -0.37 . . . . 8.23 111.53 -174.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 136' ' ' LYS . 79.9 m-85 -77.12 65.64 2.78 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.756 -0.656 . . . . 8.32 110.104 175.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -176.46 -60.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.27 -0.423 . . . . 9.46 111.286 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 26.3 p -99.28 22.85 9.98 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 120.946 0.403 . . . . 9.56 111.349 -173.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 133.64 -96.28 0.29 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.523 -0.846 . . . . 9.05 112.622 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.7 pttm 179.16 32.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.315 0.579 . . . . 13.0 109.803 -175.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.37 -178.25 4.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.705 -0.679 . . . . 12.54 110.282 -173.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -76.47 54.36 3.24 Favored Glycine 0 N--CA 1.452 -0.281 0 O-C-N 123.662 0.601 . . . . 11.87 112.063 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.401 ' CD2' ' H ' ' A' ' 126' ' ' ILE . 14.8 t-160 -127.17 162.94 24.95 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.228 -1.027 . . . . 12.65 108.228 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.551 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -112.24 131.11 64.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.149 0.5 . . . . 12.52 110.712 -177.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.5 -18.87 65.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.69 -0.686 . . . . 9.79 110.691 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -63.03 -34.24 77.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.772 -0.649 . . . . 13.48 110.781 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -116.81 30.46 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.224 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 4.1 t -115.91 151.98 34.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.874 -0.603 . . . . 11.89 109.378 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.69 120.71 17.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.044 0.449 . . . . 17.97 110.907 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -162.81 139.42 5.81 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.502 -0.772 . . . . 12.57 109.12 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -77.91 21.49 0.65 Allowed 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.622 2.215 . . . . 14.02 113.45 -173.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -120.83 -25.87 5.34 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.142 0.423 . . . . 12.91 112.142 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt 60.26 -166.15 0.2 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.08 0.467 . . . . 10.43 111.173 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.594 ' HG2' ' H ' ' A' ' 137' ' ' GLY . 0.0 OUTLIER -90.03 -86.44 0.2 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.142 -0.481 . . . . 11.97 110.685 -179.222 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.594 ' H ' ' HG2' ' A' ' 136' ' ' LYS . . . 62.86 -103.71 0.68 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.948 -0.644 . . . . 9.91 111.941 -174.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 141' ' ' CYS . 9.1 m -147.67 150.64 34.74 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 109.066 -0.716 . . . . 12.01 109.066 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.72 ' H ' ' HB2' ' A' ' 146' ' ' HIS . 5.1 m0 -127.0 -55.77 1.36 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.296 0.569 . . . . 11.32 110.338 -169.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.784 ' HG3' ' SD ' ' A' ' 148' ' ' MET . 27.7 tptp -75.15 -26.75 59.37 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.133 -1.432 . . . . 16.43 107.133 172.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 146' ' ' HIS . 0.0 OUTLIER -93.89 18.18 10.89 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 113.551 -1.658 . . . . 14.15 109.186 171.014 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -171.03 -92.55 0.08 OUTLIER Glycine 0 CA--C 1.523 0.549 0 CA-C-N 115.798 -0.637 . . . . 12.26 112.957 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.588 ' H ' ' HA ' ' A' ' 139' ' ' TRP . 46.8 tptt -67.19 -100.34 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 112.671 0.619 . . . . 16.11 112.671 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -118.64 -39.03 3.03 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.104 1.52 . . . . 14.2 115.104 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.587 ' H ' ' HB3' ' A' ' 139' ' ' TRP . . . -158.78 109.71 0.41 Allowed Glycine 0 CA--C 1.527 0.803 0 C-N-CA 119.624 -1.274 . . . . 13.35 114.725 -176.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.72 ' HB2' ' H ' ' A' ' 139' ' ' TRP . 3.6 t-80 -119.23 -168.16 1.52 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 107.459 -1.312 . . . . 15.6 107.459 177.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 149' ' ' LYS . 23.8 mm-40 -67.81 -47.73 68.26 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.745 -0.835 . . . . 15.61 108.745 172.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.784 ' SD ' ' HG3' ' A' ' 140' ' ' LYS . 17.3 ttt 52.46 -58.46 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.721 1.608 . . . . 13.85 114.76 178.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 147' ' ' GLN . 21.0 pttm -64.15 -41.64 97.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.565 0.698 . . . . 16.38 110.045 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -110.66 20.49 17.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.052 -0.976 . . . . 17.63 109.628 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . 0.532 ' HB2' ' N ' ' A' ' 148' ' ' MET . 45.6 t -73.66 82.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.615 -0.72 . . . . 16.07 109.743 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 12.2 p -98.05 132.52 43.53 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.509 -0.769 . . . . 19.18 109.912 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -52.18 123.35 10.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.839 -0.618 . . . . 19.35 109.762 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -71.65 76.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.009 -0.542 . . . . 23.86 111.693 -173.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -73.81 110.07 7.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.497 -0.774 . . . . 22.71 109.592 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -73.0 102.36 3.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.202 -0.454 . . . . 23.3 111.263 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.614 -0.708 . . . . 24.49 109.913 176.642 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.794 0.331 . . . . 21.1 111.345 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -127.9 45.48 2.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.379 0.609 . . . . 22.21 110.452 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -127.69 83.1 66.98 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.281 -0.872 . . . . 17.6 110.11 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' HG2' HD12 ' A' ' 7' ' ' ILE . 73.7 Cg_endo -73.96 153.71 47.46 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.476 2.117 . . . . 16.38 112.798 -177.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.7 m -55.75 -58.29 8.43 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 113.543 0.942 . . . . 15.87 113.543 -167.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 m -59.03 -20.58 54.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.169 0.433 . . . . 13.69 112.169 -173.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.437 HD12 ' HG2' ' A' ' 4' ' ' PRO . 1.7 mp -82.09 -39.2 16.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.328 -0.396 . . . . 12.44 110.386 -176.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.14 -19.38 51.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.404 . . . . 13.42 110.884 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.82 -4.6 59.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.509 -0.314 . . . . 12.54 111.079 175.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 32.15 58.33 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 124.335 1.054 . . . . 8.91 113.167 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -135.26 163.72 29.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.288 0.566 . . . . 13.88 111.401 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.466 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 8.2 tt0 -97.62 136.36 38.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.938 -1.028 . . . . 8.1 110.707 -175.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.41 -170.98 25.83 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.254 -0.738 . . . . 9.68 111.254 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.85 -20.55 39.19 Favored 'Trans proline' 0 CA--C 1.527 0.159 0 C-N-CA 122.522 2.148 . . . . 11.51 113.004 -176.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -119.29 8.77 11.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.524 -0.307 . . . . 13.85 111.31 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -98.0 124.07 48.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.337 -0.392 . . . . 9.91 110.625 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.93 148.69 58.03 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.469 2.113 . . . . 10.58 112.506 176.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.519 ' HB2' ' HB2' ' A' ' 75' ' ' CYS . 50.7 t80 -51.45 -60.73 2.81 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.777 0.322 . . . . 7.07 111.427 -178.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -66.11 -2.19 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 14.51 112.288 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.565 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 12.5 t70 -89.32 -54.84 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.582 -0.525 . . . . 11.24 109.582 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -74.26 -28.92 61.44 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.625 -0.43 . . . . 7.46 110.263 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.489 HG22 ' CE1' ' A' ' 18' ' ' PHE . 66.2 t -65.35 -27.63 42.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.312 0.577 . . . . 6.96 109.557 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.565 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 2.4 t70 -62.48 -45.11 94.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.511 -0.768 . . . . 11.68 109.565 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 20' ' ' ASP . 5.5 mpt_? -67.22 -49.13 65.66 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.197 -0.91 . . . . 11.78 108.942 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.55 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 59.2 t80 -53.52 -34.38 57.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.713 -1.13 . . . . 7.02 111.77 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -87.67 -43.06 12.21 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 120.942 0.401 . . . . 11.69 110.363 -171.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -82.55 -20.64 36.2 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.467 -0.493 . . . . 13.74 111.522 -173.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.9 p -81.57 -29.42 33.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 10.18 109.827 172.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -61.53 -36.12 79.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.398 -0.819 . . . . 9.09 109.328 177.45 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -78.28 -20.78 50.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.364 -0.834 . . . . 14.84 110.41 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.06 -36.22 59.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 12.23 110.732 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.42 -154.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 11.14 109.844 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -59.84 104.87 0.33 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.473 0.654 . . . . 11.89 111.18 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.36 -19.46 60.43 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.691 -1.141 . . . . 12.28 112.094 -176.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -49.52 108.83 0.22 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.225 0.535 . . . . 12.31 111.161 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.503 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . 78.5 mt-30 -70.81 -25.04 62.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.565 -0.743 . . . . 12.57 112.437 -171.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -49.08 -45.41 43.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.354 0.501 . . . . 14.44 112.354 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.8 t -87.16 -36.25 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.4 0.619 . . . . 11.92 110.37 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -71.73 -38.49 70.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.369 -0.832 . . . . 9.98 112.705 -170.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.503 ' ND2' ' HB3' ' A' ' 36' ' ' GLN . 94.2 m-20 -61.51 -48.63 80.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.561 0.22 . . . . 11.89 110.657 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.85 -31.89 71.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 11.87 111.061 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.34 -61.0 2.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.266 -0.425 . . . . 9.29 111.069 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.8 p -50.2 -38.29 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.57 0.952 . . . . 7.6 113.57 -172.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -52.15 -58.08 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.661 0.267 . . . . 11.69 111.66 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 p -84.57 -29.29 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.967 0.413 . . . . 11.45 111.826 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.49 -35.84 79.93 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.376 -0.375 . . . . 8.6 110.807 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.45 HD13 HG21 ' A' ' 22' ' ' VAL . 54.3 tp -65.7 -44.62 85.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.546 0.212 . . . . 6.14 111.291 -178.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 34.9 m -71.3 -28.39 32.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-O 120.89 0.376 . . . . 9.05 110.796 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -71.13 -21.46 62.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.11 -0.495 . . . . 12.79 110.671 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -95.81 20.48 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.015 -0.539 . . . . 8.64 111.37 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.466 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -93.61 -179.42 5.02 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.305 -0.558 . . . . 8.36 109.89 177.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.575 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 17.8 t-20 -76.01 139.9 69.69 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.604 -0.517 . . . . 9.66 109.604 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -38.92 -52.91 2.08 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.25 2.634 . . . . 12.29 113.211 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.608 ' O ' ' HB ' ' A' ' 57' ' ' THR . 5.1 t70 -69.29 -39.16 78.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 10.64 110.431 -177.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.611 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 81.0 m -64.19 -43.85 93.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.416 -0.811 . . . . 8.04 110.806 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 4.7 mtpm? -60.82 -38.86 86.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.414 0.626 . . . . 10.04 109.416 175.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.608 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 85.5 m -55.01 -41.56 71.43 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.436 -1.256 . . . . 12.79 111.845 178.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.587 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 43.9 pt -86.4 -36.19 10.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 121.028 -0.269 . . . . 11.46 111.236 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 55.0 mt -55.71 -40.66 72.72 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.534 -0.303 . . . . 11.84 111.764 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -73.51 -19.01 61.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.893 0.378 . . . . 15.11 111.159 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.29 -41.78 19.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.345 -0.389 . . . . 15.64 110.964 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 1.9 pp -98.95 -11.61 21.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.984 0.364 . . . . 15.72 111.984 -176.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.501 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -42.48 -54.48 4.78 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.192 -0.782 . . . . 16.17 114.765 -177.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 63' ' ' GLY . 2.2 Cg_endo -42.46 -47.97 7.15 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.564 2.843 . . . . 18.15 113.883 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.12 -13.43 36.52 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.557 -0.83 . . . . 15.85 112.947 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.68 123.41 37.0 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.264 0.554 . . . . 14.46 111.646 -176.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.3 p -81.05 -177.44 6.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.746 -0.661 . . . . 15.82 110.385 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -56.89 -42.73 80.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.903 0.383 . . . . 12.91 110.539 -176.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.86 -29.58 61.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.48 -0.327 . . . . 16.53 111.795 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.83 -48.13 55.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.343 0.592 . . . . 15.56 109.798 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.422 ' HB2' HD21 ' A' ' 59' ' ' LEU . 27.2 ptm -66.66 -23.54 66.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.211 -0.904 . . . . 10.69 110.321 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 40.2 ttm -65.41 -47.1 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.708 -0.678 . . . . 11.49 109.777 173.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.7 m -66.29 -34.72 78.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.257 -0.883 . . . . 12.19 110.882 176.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 78' ' ' VAL . . . -59.68 -38.65 82.1 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.477 0.547 . . . . 9.59 112.477 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 54.1 m -81.01 -41.99 21.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.736 0.303 . . . . 7.45 111.51 -176.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -71.3 116.08 11.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.176 0.512 . . . . 11.35 110.042 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.93 5.61 61.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.995 -0.621 . . . . 9.18 111.735 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 74' ' ' ALA . 36.7 t 46.55 82.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 123.812 0.845 . . . . 8.24 111.623 -176.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.22 6.27 51.53 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.399 -0.818 . . . . 10.49 112.476 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.68 131.0 2.44 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.739 -0.743 . . . . 10.68 112.136 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.77 56.94 4.86 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.213 2.609 . . . . 12.52 112.897 -178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.39 20.98 0.21 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.021 -0.609 . . . . 11.58 111.8 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -90.88 132.54 35.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.059 0.456 . . . . 11.24 110.83 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.499 ' O ' HG21 ' A' ' 87' ' ' VAL . 18.5 ptmt -88.31 16.68 5.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.954 -0.567 . . . . 12.52 110.799 -178.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.736 ' O ' ' HG ' ' A' ' 88' ' ' LEU . . . -59.91 -19.1 49.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.705 -0.68 . . . . 9.36 110.83 176.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.556 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 28.6 ttp180 -54.34 -37.18 64.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 11.22 111.136 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.499 HG21 ' O ' ' A' ' 84' ' ' LYS . 15.1 m -71.07 -25.97 26.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 121.148 0.499 . . . . 8.17 110.718 -171.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 85' ' ' ALA . 3.5 pp -87.59 -34.51 18.51 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.797 -0.638 . . . . 9.0 109.482 177.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.15 77.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.514 -0.766 . . . . 7.69 110.579 175.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 42.8 mt-10 -62.16 -30.42 71.03 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.977 -0.556 . . . . 8.34 110.384 176.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.513 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -82.38 -37.56 25.42 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.005 -0.543 . . . . 7.39 110.085 177.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' A' ' 88' ' ' LEU . 97.2 mmm -62.93 -32.87 74.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.296 -0.865 . . . . 10.64 111.037 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 t -83.27 -20.42 34.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.911 0.386 . . . . 9.14 110.349 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -83.94 -30.71 26.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 9.09 111.321 -176.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.513 HG11 ' O ' ' A' ' 91' ' ' ALA . 34.2 m -58.8 -19.38 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 112.073 0.398 . . . . 10.49 112.073 -178.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 37.1 p -56.16 -27.48 54.44 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.156 0.503 . . . . 12.05 111.018 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -123.56 88.24 51.87 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.748 -0.66 . . . . 11.63 109.376 177.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -70.74 -9.53 25.95 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.895 2.397 . . . . 13.14 112.428 -176.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.39 73.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.116 -0.493 . . . . 11.54 111.199 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 p -85.27 -45.18 12.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.072 -0.513 . . . . 10.92 111.395 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.59 -26.33 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.081 -0.509 . . . . 12.82 112.003 -175.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.5 ttm -76.37 -35.35 58.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.683 0.278 . . . . 13.52 111.053 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.23 -56.61 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.799 0.333 . . . . 11.63 110.619 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -63.55 -25.97 68.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.759 -0.655 . . . . 12.18 111.475 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -67.79 -26.65 66.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.924 0.392 . . . . 14.52 110.57 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.62 -63.62 1.68 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.556 -0.831 . . . . 12.13 113.209 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -87.5 -46.45 9.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.762 0.653 . . . . 12.5 112.762 -173.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -72.7 -39.32 67.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 15.06 111.611 -172.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -56.74 -59.08 5.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.112 -0.495 . . . . 15.55 111.463 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 60.16 -84.05 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.649 0.593 . . . . 14.34 109.805 -172.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -129.15 -60.65 1.07 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.298 -1.001 . . . . 14.49 108.298 173.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 51.7 50.34 18.92 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.532 -0.758 . . . . 15.04 111.656 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -78.95 -2.56 40.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.385 -0.371 . . . . 12.69 110.462 177.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.8 t -64.6 -14.26 57.08 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.036 -0.529 . . . . 11.01 112.233 -177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 40.7 t -76.98 -23.82 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.245 0.545 . . . . 11.73 109.852 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.624 ' HA ' ' O ' ' A' ' 123' ' ' GLU . 94.8 mttt -109.75 152.37 25.75 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.551 0.691 . . . . 11.01 110.152 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.56 ' HB2' ' HB2' ' A' ' 125' ' ' HIS . 41.8 t -88.95 97.72 11.35 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.528 -0.76 . . . . 8.23 110.885 -174.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -89.22 65.75 7.4 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.229 0.538 . . . . 8.32 110.512 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.432 HD22 ' HA ' ' A' ' 127' ' ' ALA . 10.1 p30 -173.1 -40.03 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.479 -0.782 . . . . 9.46 111.776 177.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.65 -21.81 2.46 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.705 1.002 . . . . 9.56 113.705 -173.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.91 -34.61 0.16 Allowed Glycine 0 C--N 1.33 0.228 0 C-N-CA 118.863 -1.637 . . . . 9.05 114.963 -168.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp 62.72 27.19 16.01 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.619 0.723 . . . . 13.0 110.227 -174.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.624 ' O ' ' HA ' ' A' ' 116' ' ' LYS . 3.5 pt-20 -132.34 -162.14 1.2 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.995 -1.002 . . . . 12.54 109.423 -178.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -75.41 59.73 2.83 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 114.151 0.421 . . . . 11.87 114.151 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.56 ' HB2' ' HB2' ' A' ' 117' ' ' CYS . 9.8 m170 -117.5 145.03 44.48 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.153 -1.054 . . . . 12.65 108.153 164.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 24.3 pt -78.83 122.99 35.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 108.576 -0.898 . . . . 12.52 108.576 167.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 135' ' ' LYS . . . -55.03 -18.33 5.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 9.79 111.831 -177.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -63.69 -41.68 98.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.987 -0.551 . . . . 13.48 111.805 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.97 -23.31 21.57 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.574 -0.45 . . . . 15.0 111.065 -171.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 99.3 m -81.11 124.95 29.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.371 -0.377 . . . . 11.89 110.22 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -90.13 98.01 11.52 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.964 0.412 . . . . 17.97 110.355 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -165.84 159.19 13.09 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 12.57 109.316 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.456 ' HB2' ' NE1' ' A' ' 139' ' ' TRP . 22.4 Cg_endo -60.82 144.56 99.58 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.295 1.996 . . . . 14.02 112.781 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.707 ' HB2' ' CD1' ' A' ' 139' ' ' TRP . 40.2 ttm180 80.79 5.89 1.48 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.437 1.095 . . . . 12.91 110.611 -177.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -70.72 -30.04 66.47 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.164 0.507 . . . . 10.43 109.713 173.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -84.6 -0.61 53.92 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.454 -0.943 . . . . 11.97 108.454 168.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 134' ' ' ARG . . . 92.95 -7.69 76.54 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 114.791 -1.095 . . . . 9.91 113.003 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.568 ' SG ' ' N ' ' A' ' 141' ' ' CYS . 36.3 t -120.54 147.21 45.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.323 0.86 . . . . 12.01 113.323 -172.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.707 ' CD1' ' HB2' ' A' ' 134' ' ' ARG . 10.8 m0 -115.31 22.19 13.47 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.31 0.856 . . . . 11.32 113.31 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 38.5 tptt -161.65 -51.32 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.769 1.026 . . . . 16.43 113.769 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . 0.568 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 3.2 m -66.55 -18.1 65.18 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.138 0.494 . . . . 14.15 109.748 -177.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 68.65 17.34 70.9 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.606 -0.724 . . . . 12.26 112.256 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.461 ' HB3' ' HZ2' ' A' ' 143' ' ' LYS . 8.0 ttpm? -152.58 151.58 30.82 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.892 -0.41 . . . . 16.11 109.892 -173.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -81.0 -3.21 50.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 14.2 111.794 -175.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.456 ' H ' ' HG2' ' A' ' 143' ' ' LYS . . . -83.73 58.39 5.02 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.012 -0.613 . . . . 13.35 111.716 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 148' ' ' MET . 0.2 OUTLIER -150.32 161.38 42.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.042 -0.725 . . . . 15.6 109.042 -176.769 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 150' ' ' ASP . 12.7 mm100 -89.79 -4.73 57.49 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.446 0.536 . . . . 15.61 112.446 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.58 ' HA ' ' CE1' ' A' ' 146' ' ' HIS . 8.7 tmm? 69.09 -47.71 0.58 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.546 0.738 . . . . 13.85 112.485 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -71.43 -42.28 68.44 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.154 -0.684 . . . . 16.38 109.154 171.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.433 ' HB2' ' HB2' ' A' ' 147' ' ' GLN . 7.7 m-20 -88.37 20.46 3.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.395 -0.82 . . . . 17.63 110.232 176.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 28.8 t -55.51 119.12 5.16 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.581 -0.526 . . . . 16.07 109.581 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 17.4 m -63.27 110.82 2.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 19.18 111.303 -176.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.67 131.63 53.89 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.818 -0.808 . . . . 19.35 108.818 177.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -105.36 -23.08 12.91 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.396 -0.366 . . . . 23.86 111.422 -171.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -73.87 -40.48 63.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.965 0.412 . . . . 22.71 110.468 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -82.62 72.19 9.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.196 -0.456 . . . . 23.3 110.456 175.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.365 -0.826 . . . . 24.49 110.88 -177.262 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.95 0.405 . . . . 12.54 111.942 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.487 HG13 ' HB2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER 33.27 29.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 116.028 1.862 . . . . 8.74 116.028 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.428 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -72.11 132.88 44.79 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 119.321 0.964 . . . . 13.19 110.371 -179.274 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.502 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 44.2 tt0 -63.82 129.18 39.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.986 -1.006 . . . . 8.1 111.724 -176.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.85 154.25 30.55 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.638 -0.985 . . . . 9.01 110.638 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.88 -23.06 48.93 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.762 2.308 . . . . 10.91 113.616 -174.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -91.73 -12.51 33.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.842 0.353 . . . . 13.55 110.892 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 4.2 tp10 -88.81 131.42 41.56 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.072 -0.513 . . . . 9.91 111.116 -169.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HA ' ' H ' ' A' ' 77' ' ' GLY . 19.4 Cg_endo -63.78 128.55 22.37 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.966 1.777 . . . . 9.95 111.178 171.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.499 ' O ' HG23 ' A' ' 22' ' ' VAL . 72.0 t80 -43.62 -61.36 1.42 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.829 0.706 . . . . 6.75 112.724 -172.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.543 ' HB3' HE21 ' A' ' 76' ' ' GLN . 9.5 tpt180 -64.56 -17.75 64.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.004 0.372 . . . . 13.72 112.004 -173.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . 16.6 t70 -78.02 -39.02 43.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.35 . . . . 11.24 110.299 -178.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.535 ' CD2' ' HD3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -79.76 -32.37 41.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.511 -0.551 . . . . 7.3 109.511 176.733 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 18' ' ' PHE . 94.4 t -65.35 -26.27 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.915 -0.584 . . . . 6.77 110.106 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -58.88 -40.12 83.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 11.68 111.685 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.696 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -84.53 -19.22 33.55 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.128 -0.629 . . . . 11.36 110.163 -177.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.487 ' HB2' HG13 ' A' ' 10' ' ' ILE . 88.2 t80 -69.14 -33.91 74.18 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.753 -0.832 . . . . 7.02 108.753 168.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -73.22 -28.07 61.96 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.149 -0.932 . . . . 11.44 109.365 -175.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 16.2 ptmt -75.04 -24.02 58.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.593 -0.73 . . . . 13.47 110.217 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.654 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 30.4 p -84.51 -35.61 22.8 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.204 -0.665 . . . . 9.35 109.204 174.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 52.6 tp -67.61 -34.04 76.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.347 -0.842 . . . . 9.09 110.219 -177.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -72.73 -25.84 61.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.58 -0.736 . . . . 14.19 110.681 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.0 -57.69 2.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.858 -0.61 . . . . 11.93 111.42 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.654 ' HG2' ' O ' ' A' ' 28' ' ' THR . 14.3 pt-20 -88.23 38.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.916 0.389 . . . . 10.89 111.837 -175.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 10.8 pt20 -84.01 41.53 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.22 0.533 . . . . 11.52 111.816 -177.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.88 -63.1 1.43 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.997 -0.547 . . . . 11.97 110.116 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.8 t -83.59 73.5 10.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 12.02 110.169 175.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.74 -31.19 68.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.484 . . . . 12.14 110.242 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.03 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.424 -0.807 . . . . 14.44 111.8 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.2 t -84.13 -34.75 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.019 0.438 . . . . 11.61 109.835 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.521 ' HE2' ' O ' ' A' ' 32' ' ' GLU . 44.9 mmtm -61.7 -52.48 64.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.6 . . . . 9.78 111.167 -178.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.443 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 8.7 t30 -60.87 -44.3 97.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.651 -0.25 . . . . 11.43 110.792 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.79 76.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 11.43 110.728 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.2 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.121 -0.491 . . . . 9.19 110.565 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 39' ' ' LYS . 66.2 p -48.54 -33.33 9.4 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.869 0.692 . . . . 7.35 112.869 -175.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 40' ' ' ASN . 45.5 mt-10 -55.09 -58.43 7.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.114 0.483 . . . . 11.69 111.236 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.9 t -85.07 -26.75 26.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.82 -0.627 . . . . 11.34 110.997 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.437 ' HB3' ' HA ' ' A' ' 43' ' ' THR . 3.0 tm? -64.53 -57.6 8.71 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 116.089 -0.505 . . . . 8.22 111.418 -175.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.495 HD12 HG22 ' A' ' 22' ' ' VAL . 3.4 mm? -64.49 -30.9 71.93 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.35 0.5 . . . . 5.99 112.35 -174.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.562 ' O ' ' HE2' ' A' ' 56' ' ' LYS . 35.6 m -77.55 -33.25 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.304 -0.558 . . . . 8.67 110.892 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -80.27 -22.73 41.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.741 . . . . 12.22 110.112 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -69.16 -17.62 63.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.865 -1.062 . . . . 8.3 111.028 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -77.12 157.51 30.97 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.087 -0.506 . . . . 8.36 110.521 -175.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -69.66 145.51 95.01 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 108.382 -0.97 . . . . 9.4 108.382 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -37.76 -49.38 2.01 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.602 2.868 . . . . 11.66 113.644 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.65 -38.21 90.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.341 0.591 . . . . 10.64 111.192 -176.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.6 t -67.06 -49.13 66.16 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.065 -0.97 . . . . 8.04 112.285 -175.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.562 ' HE2' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -69.17 -29.06 66.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.746 -0.596 . . . . 10.04 110.033 178.149 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.401 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 55.2 m -61.0 -44.97 96.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.257 -0.883 . . . . 12.46 111.404 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.723 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.7 pt -73.44 -37.75 51.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.602 -0.439 . . . . 11.46 111.192 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 56' ' ' LYS . 27.3 mt -46.73 -48.5 20.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.976 0.417 . . . . 11.84 111.72 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 57' ' ' THR . 14.4 ptmt -79.59 -18.55 51.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.052 -0.522 . . . . 14.91 111.521 -177.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.47 -42.78 19.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.801 0.334 . . . . 15.64 111.085 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 1.7 pp . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 111.9 0.333 . . . . 15.72 111.9 -176.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 121.133 0.492 . . . . 12.22 109.708 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -76.03 -28.48 57.74 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.057 -0.72 . . . . 16.53 109.057 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -65.43 -47.5 76.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.896 -1.047 . . . . 15.56 110.619 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.0 ptp -69.48 -27.99 65.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.96 0.41 . . . . 10.3 110.291 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.439 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 59.6 ttp -69.76 -43.06 73.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 11.15 109.906 176.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.8 m -69.57 -33.12 72.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.54 -0.755 . . . . 12.02 110.445 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.68 -35.25 74.09 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.869 -0.605 . . . . 9.32 111.066 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 70.2 m -95.12 -4.4 46.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.881 -0.599 . . . . 7.31 111.293 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.543 HE21 ' HB3' ' A' ' 19' ' ' ARG . 92.8 mt-30 -80.4 114.67 19.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.136 -0.69 . . . . 10.66 109.136 171.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.436 ' H ' ' HA ' ' A' ' 17' ' ' PRO . . . 63.09 68.3 1.72 Allowed Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.708 -0.758 . . . . 8.85 111.438 -174.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 120.811 0.339 . . . . 8.24 110.689 -178.897 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 120.799 0.333 . . . . 12.54 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.527 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -66.64 40.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 113.62 0.97 . . . . 8.74 113.62 -178.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.42 ' HG2' ' OD1' ' A' ' 50' ' ' ASN . 81.7 mtt180 -76.34 150.44 36.87 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.127 -1.064 . . . . 13.19 108.127 172.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -127.69 157.13 41.12 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.089 -1.044 . . . . 8.1 113.36 -171.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.443 ' HA2' ' HB2' ' A' ' 52' ' ' ASN . . . -109.96 -172.69 20.42 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 114.2 -1.364 . . . . 9.01 111.205 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.632 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 93.8 Cg_endo -86.96 22.59 0.92 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.854 2.369 . . . . 10.91 112.942 -173.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.81 4.58 11.0 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.834 -0.346 . . . . 13.55 111.524 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.54 130.06 31.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 112.186 0.439 . . . . 9.91 112.186 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.09 146.1 51.22 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.369 2.046 . . . . 9.95 110.123 165.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.483 ' CG ' ' HA ' ' A' ' 72' ' ' MET . 82.4 t80 -45.57 -59.13 2.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.393 0.516 . . . . 6.75 112.393 -174.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 20' ' ' ASP . 6.6 ppt_? -58.63 -19.52 39.7 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.864 0.69 . . . . 13.72 112.864 -176.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.487 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 37.2 t70 -87.94 -42.22 12.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.324 0.583 . . . . 11.24 109.742 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -46.51 85.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 7.3 109.442 173.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.75 -29.69 47.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.162 -0.927 . . . . 6.77 111.241 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.09 -46.9 72.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 11.68 111.875 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -31.87 23.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.747 0.308 . . . . 11.36 110.386 -178.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.455 ' CD2' HD23 ' A' ' 47' ' ' LEU . 90.4 t80 -67.4 -29.97 69.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.445 -0.343 . . . . 7.02 110.88 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -75.1 -24.32 58.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.463 0.649 . . . . 11.44 109.476 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -62.95 -28.96 70.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.036 -0.984 . . . . 13.47 110.811 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -70.25 -34.83 73.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.096 0.474 . . . . 9.35 110.107 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 11.1 mp -66.58 -26.97 67.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.714 -0.675 . . . . 9.09 110.793 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -80.1 -27.78 39.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.053 -0.521 . . . . 14.19 110.299 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.44 -24.91 27.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.735 -0.666 . . . . 11.93 111.89 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 29' ' ' LEU . 11.6 pt-20 -86.02 -167.28 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 10.89 110.789 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -62.02 150.77 37.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.213 0.53 . . . . 11.52 110.352 175.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.93 -20.42 49.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.623 -0.717 . . . . 11.97 111.955 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.3 m -50.47 107.25 0.15 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.676 0.61 . . . . 12.02 111.814 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -74.1 -27.84 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.871 -0.604 . . . . 12.14 111.436 -176.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.38 -32.64 70.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.433 -0.349 . . . . 14.44 111.167 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.4 -36.57 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.37 -0.377 . . . . 11.61 110.374 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.68 -46.78 83.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.885 -0.598 . . . . 9.78 111.391 -175.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -63.42 -36.3 83.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.377 -0.374 . . . . 11.43 111.556 -176.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.04 -28.85 43.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.086 0.47 . . . . 11.43 110.916 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.38 -60.43 2.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 9.19 111.289 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 p -57.83 -31.18 66.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.866 -0.606 . . . . 7.35 112.484 -173.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 45' ' ' THR . 9.4 pt-20 -55.43 -49.19 73.05 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 121.002 -0.279 . . . . 11.69 110.96 -176.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 8.9 t -87.24 -35.51 18.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.074 0.464 . . . . 11.34 110.823 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -69.4 -36.87 77.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 8.22 111.456 -172.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.455 HD23 ' CD2' ' A' ' 25' ' ' PHE . 3.5 tm? -66.66 -47.33 72.83 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.775 0.321 . . . . 5.99 110.21 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.722 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 34.9 m -72.25 -27.08 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.991 0.424 . . . . 8.67 111.767 -176.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.538 ' HA ' ' NZ ' ' A' ' 56' ' ' LYS . 14.8 mm100 -76.64 -19.34 57.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.66 0.266 . . . . 12.22 111.4 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.42 ' OD1' ' HG2' ' A' ' 11' ' ' ARG . 14.2 t30 -96.81 10.76 37.94 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.175 -0.466 . . . . 8.3 111.546 -174.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.09 178.11 4.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.916 0.389 . . . . 8.36 110.982 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.443 ' HB2' ' HA2' ' A' ' 13' ' ' GLY . 22.5 t-20 -71.56 141.9 85.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.813 -0.63 . . . . 9.4 110.469 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 56' ' ' LYS . 58.9 Cg_exo -37.12 -50.51 1.56 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.547 2.832 . . . . 11.66 113.516 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' A' ' 57' ' ' THR . 10.8 t70 -65.07 -45.17 86.42 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.272 0.558 . . . . 10.64 111.034 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.632 ' SG ' ' HA ' ' A' ' 14' ' ' PRO . 58.4 m -64.31 -36.0 82.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.289 -0.868 . . . . 8.04 111.185 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.722 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 16.0 mtpp -70.58 -40.92 73.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.588 0.708 . . . . 10.04 109.311 175.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 18.4 m -54.03 -53.23 55.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.36 -1.291 . . . . 12.46 112.332 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.64 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 26.5 pt -57.53 -40.45 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.834 0.309 . . . . 11.46 111.834 -177.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.504 HD21 ' SG ' ' A' ' 75' ' ' CYS . 73.0 mt -59.57 -47.21 86.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.028 0.442 . . . . 11.84 111.157 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -80.31 -20.5 44.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.188 -0.46 . . . . 14.91 110.632 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.88 -13.19 59.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 15.64 111.006 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 66.1 mt . . . . . 0 C--N 1.331 -0.212 0 CA-C-O 121.084 0.469 . . . . 15.72 110.364 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.796 0.332 . . . . 12.22 110.298 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -70.24 -24.09 63.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.404 0.621 . . . . 16.53 109.961 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -67.48 -49.0 65.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.201 -0.909 . . . . 15.56 110.196 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.8 ptp -68.97 -27.36 65.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 10.3 110.341 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.483 ' HA ' ' CG ' ' A' ' 18' ' ' PHE . 47.4 ttm -64.96 -51.98 58.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.122 0.487 . . . . 11.15 109.85 176.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.4 m -63.81 -28.97 70.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.262 -0.881 . . . . 12.02 111.15 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.2 20.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.67 -0.696 . . . . 9.32 111.682 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.504 ' SG ' HD21 ' A' ' 59' ' ' LEU . 72.0 m -87.58 10.63 17.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.995 0.369 . . . . 7.31 111.995 -176.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -104.78 123.27 47.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.378 -0.601 . . . . 10.66 109.378 173.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.7 17.21 76.47 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.662 -0.78 . . . . 8.85 111.915 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.299 0.571 . . . . 8.24 110.561 -177.826 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.861 0.363 . . . . 12.54 110.528 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.434 ' H ' HG12 ' A' ' 10' ' ' ILE . 6.1 pt -71.15 63.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.827 -0.624 . . . . 8.74 112.491 -176.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 12.0 ptp180 -133.05 172.75 12.22 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.273 -0.639 . . . . 13.19 109.273 174.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -122.75 143.24 49.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.168 0.509 . . . . 8.1 111.595 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.25 169.3 18.53 Favored Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.862 -0.895 . . . . 9.01 110.862 170.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.52 -34.78 84.8 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.409 2.073 . . . . 10.91 112.512 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -94.42 3.65 54.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.388 -0.369 . . . . 13.55 111.267 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -82.29 128.53 67.09 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.79 0.328 . . . . 9.91 110.779 -175.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.94 112.07 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.416 2.077 . . . . 9.95 110.452 170.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -51.96 -35.58 46.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.509 -0.769 . . . . 6.75 111.25 -176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 72.1 ttt180 -71.08 -18.89 62.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.303 -0.408 . . . . 13.72 111.871 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -86.81 -59.61 2.22 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.301 -0.559 . . . . 11.24 111.79 -172.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.536 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 6.2 m-85 -75.59 -24.66 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.475 -0.49 . . . . 7.3 111.896 -175.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.7 t -79.57 -25.46 12.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.132 0.491 . . . . 6.77 109.868 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 20.9 t70 -61.79 -36.54 81.39 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.97 -0.752 . . . . 11.68 108.97 171.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.536 ' HD2' ' HA ' ' A' ' 21' ' ' TYR . 31.6 mtt180 -70.24 -35.47 73.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.173 -0.921 . . . . 11.36 109.679 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.499 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 66.4 t80 -61.67 -34.3 75.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.208 -0.905 . . . . 7.02 110.046 177.062 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -81.59 -36.67 28.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.795 -0.639 . . . . 11.44 109.911 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 41.9 mmtm -60.51 -43.56 96.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.79 -0.641 . . . . 13.47 111.533 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 12.9 t -68.22 -27.59 66.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.929 0.395 . . . . 9.35 110.561 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 85.8 mt -74.42 -24.82 59.15 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.913 0.387 . . . . 9.09 110.043 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -71.62 -34.47 69.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.839 -0.619 . . . . 14.19 110.572 175.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.62 -57.62 6.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.182 -0.463 . . . . 11.93 110.511 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.0 pt-20 -89.86 43.81 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.179 0.514 . . . . 10.89 110.651 176.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -63.17 -13.64 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.995 -0.548 . . . . 11.52 112.062 -175.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.4 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.085 0.469 . . . . 11.97 110.63 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 15.4 m -82.73 54.24 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.102 -0.499 . . . . 12.02 111.374 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -67.62 -33.6 75.31 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.249 0.547 . . . . 12.14 110.435 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -55.83 -33.5 64.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.054 -0.975 . . . . 14.44 111.204 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.1 t -81.8 -38.22 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.185 -0.461 . . . . 11.61 110.075 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 35' ' ' SER . 97.1 mttt -53.97 -42.24 68.73 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.474 -0.785 . . . . 9.78 111.624 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -43.42 -56.05 3.81 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.765 0.666 . . . . 11.43 112.096 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.1 -44.6 14.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.224 -0.444 . . . . 11.43 110.529 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.72 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -60.37 -53.92 51.78 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.787 -0.642 . . . . 9.19 112.261 -173.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.6 t -58.28 -31.31 67.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.911 0.386 . . . . 7.35 111.507 -170.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -84.01 -44.48 14.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.377 -0.374 . . . . 11.69 111.384 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.453 ' O ' HG12 ' A' ' 48' ' ' VAL . 9.9 t -84.11 -27.13 28.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.11 0.481 . . . . 11.34 110.573 -174.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.72 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -72.41 -51.23 21.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.063 -0.517 . . . . 8.22 110.779 178.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.5 tp -67.48 -26.29 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.763 0.316 . . . . 5.99 110.246 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 45' ' ' THR . 1.6 p -81.82 -30.68 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 8.67 110.735 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -81.75 -47.05 13.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.209 0.528 . . . . 12.22 110.646 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 7.3 m-20 -70.28 -15.69 62.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.528 -0.76 . . . . 8.3 112.25 -176.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.27 151.78 41.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.03 0.443 . . . . 8.36 110.012 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -69.0 135.39 89.6 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.804 -0.634 . . . . 9.4 109.468 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.426 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 3.6 Cg_exo -38.88 -50.32 2.57 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.93 3.087 . . . . 11.66 113.327 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.59 -46.65 89.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.838 -0.619 . . . . 10.64 112.276 -174.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.617 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 30.6 p -75.66 -41.02 55.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.077 -0.51 . . . . 8.04 111.709 -170.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' ' 53' ' ' PRO . 3.6 pttp -72.61 -23.68 60.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.288 0.566 . . . . 10.04 109.93 178.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.53 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 20.3 m -68.71 -45.27 72.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.611 -0.722 . . . . 12.46 111.189 173.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 55' ' ' CYS . 2.8 pp -74.8 -24.14 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.263 0.468 . . . . 11.46 112.263 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 66.8 mt -56.03 -45.47 79.14 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.846 0.355 . . . . 11.84 111.637 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -70.11 -20.87 63.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.465 . . . . 14.91 111.536 -174.393 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.47 -34.45 23.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.967 0.413 . . . . 15.64 110.723 176.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.869 -0.605 . . . . 15.72 112.114 -177.399 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.581 0.229 . . . . 12.22 111.194 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -72.31 -27.62 62.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.882 0.372 . . . . 16.53 111.45 -173.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -81.09 -35.49 31.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.938 0.399 . . . . 15.56 110.565 -175.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.9 ptp -76.3 -28.08 56.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.569 -0.53 . . . . 10.3 109.569 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' A' ' 19' ' ' ARG . 58.0 ttp -68.25 -40.89 81.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.926 -0.579 . . . . 11.15 110.228 175.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.7 m -69.33 -29.13 66.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.698 -0.683 . . . . 12.02 110.487 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.81 62.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.532 -0.758 . . . . 9.32 111.773 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.407 ' SG ' HD11 ' A' ' 58' ' ' ILE . 74.7 m -86.23 -24.71 25.94 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.322 0.49 . . . . 7.31 112.322 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -80.01 114.95 19.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.382 0.61 . . . . 10.66 110.298 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.86 56.37 4.52 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.693 -0.765 . . . . 8.85 112.543 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 109.301 -0.629 . . . . 8.24 109.301 173.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.631 0.253 . . . . 12.54 111.446 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.558 ' HA ' ' HG3' ' A' ' 24' ' ' ARG . 11.5 pt -76.79 55.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.796 0.808 . . . . 8.74 112.392 -173.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -127.57 157.68 39.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.63 -0.714 . . . . 13.19 109.282 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.47 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 40.7 tt0 -108.45 142.69 38.45 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.455 -0.339 . . . . 8.1 111.011 -172.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.83 159.61 34.63 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.235 -0.746 . . . . 9.01 111.235 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -42.64 -49.37 6.58 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.667 2.911 . . . . 10.91 114.216 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 14.35 18.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.356 . . . . 13.55 111.717 -174.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.77 131.52 92.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 9.91 110.973 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -58.47 119.13 6.18 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.481 2.12 . . . . 9.95 110.828 173.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.715 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 44.3 t80 -53.59 -30.41 42.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.517 -0.765 . . . . 6.75 111.429 -177.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -58.78 -34.56 71.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 13.72 111.09 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 29.4 t70 -85.73 -34.35 21.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.057 0.456 . . . . 11.24 110.491 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.485 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 11.1 t80 -57.37 -35.08 69.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.686 0.755 . . . . 7.3 109.889 171.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 18' ' ' PHE . 47.8 t -72.38 -38.75 61.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.056 -0.975 . . . . 6.77 110.392 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 10.9 t70 -52.14 -47.15 65.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.54 -0.754 . . . . 11.68 111.819 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HG3' ' HA ' ' A' ' 10' ' ' ILE . 4.6 ptm180 -72.92 -39.74 66.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 11.36 110.011 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.692 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 51.8 t80 -64.18 -27.82 69.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.446 -0.797 . . . . 7.02 110.984 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -79.47 -39.77 31.38 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.4 0.619 . . . . 11.44 109.798 -176.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 9.7 mtmp? -64.38 -29.12 70.19 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.463 -0.79 . . . . 13.47 112.349 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.55 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 14.8 t -77.74 -30.78 51.77 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.269 -0.573 . . . . 9.35 110.25 176.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 81.1 mt -70.43 -32.18 69.66 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.457 -0.338 . . . . 9.09 111.109 -177.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 23.5 ptt180 -70.49 -22.46 62.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.405 0.621 . . . . 14.19 110.278 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -56.21 4.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.352 -0.84 . . . . 11.93 110.544 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.3 pt-20 -86.65 52.01 2.39 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.667 0.746 . . . . 10.89 111.153 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -64.17 -17.56 63.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.552 -0.749 . . . . 11.52 111.849 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.39 -38.84 29.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.841 0.353 . . . . 11.97 111.091 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m -81.89 69.23 8.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.984 -0.553 . . . . 12.02 111.103 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -71.36 -43.47 66.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.951 -0.568 . . . . 12.14 111.091 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -68.39 -28.46 67.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.282 0.563 . . . . 14.44 110.675 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -71.45 -45.52 68.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.609 -0.723 . . . . 11.61 110.675 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -74.57 -23.61 58.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.167 0.508 . . . . 9.78 110.535 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -67.81 -30.15 69.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.602 -0.726 . . . . 11.43 109.243 175.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.99 -37.66 21.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.336 -0.847 . . . . 11.43 110.02 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.531 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -59.13 -36.84 75.91 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.163 -0.926 . . . . 9.19 111.872 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 47' ' ' LEU . 17.8 p -60.26 -43.02 96.5 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.978 0.418 . . . . 7.35 111.439 -178.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -85.75 -44.06 12.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.525 0.565 . . . . 11.69 112.525 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.0 m -83.87 -45.28 13.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.159 0.504 . . . . 11.34 111.507 -175.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.531 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 2.1 tm? -87.76 -51.44 5.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.841 -0.618 . . . . 8.22 111.262 -171.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.528 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.5 tm? -67.36 -25.87 66.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.716 0.769 . . . . 5.99 109.891 -172.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 55.5 t -81.31 -48.47 18.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.875 -0.602 . . . . 8.67 110.938 176.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -71.65 -32.5 67.99 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.175 0.435 . . . . 12.22 112.175 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 1.4 m-20 -81.44 2.1 30.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.209 0.818 . . . . 8.3 113.209 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.064 ' HB3' ' HD3' ' A' ' 56' ' ' LYS . . . -105.71 -179.93 4.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 118.916 -1.114 . . . . 8.36 111.008 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.512 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 39.1 t30 -62.64 121.17 65.97 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.71 -0.677 . . . . 9.4 110.092 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -38.39 -52.82 1.88 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.394 2.729 . . . . 11.66 112.881 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.81 -46.92 71.25 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.879 0.737 . . . . 10.64 112.029 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.554 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 65.5 m -60.34 -41.33 93.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.447 -0.797 . . . . 8.04 111.186 -176.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 1.064 ' HD3' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.23 -22.99 41.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.456 0.646 . . . . 10.04 111.705 176.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.597 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 55.2 m -66.68 -45.89 77.41 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.952 -1.022 . . . . 12.46 111.261 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 42.1 pt -68.4 -30.16 46.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 111.622 0.23 . . . . 11.46 111.622 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 46.2 mt -53.29 -43.43 67.51 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.351 0.5 . . . . 11.84 112.351 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 57' ' ' THR . 13.1 pttp -71.31 -20.41 62.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.865 0.364 . . . . 14.91 110.919 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.35 -12.6 59.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 15.64 110.617 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.2 mt . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 121.003 0.43 . . . . 15.72 110.205 175.166 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.197 -0.297 . . . . 12.22 110.197 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.9 -28.19 60.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.222 0.534 . . . . 16.53 110.236 -175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.47 -50.32 65.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.155 -0.929 . . . . 15.56 110.121 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.2 ptp -69.62 -29.84 67.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 10.3 110.519 -178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.715 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 44.2 ttm -69.28 -48.48 61.55 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.012 -0.54 . . . . 11.15 110.082 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -67.76 -46.89 70.77 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.162 -0.926 . . . . 12.02 111.18 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.61 83.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.735 -0.666 . . . . 9.32 112.523 -174.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 71.4 m -88.4 11.81 15.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.21 0.448 . . . . 7.31 112.21 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' A' ' 72' ' ' MET . 79.2 mt-30 -99.83 115.71 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.954 0.407 . . . . 10.66 110.517 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.52 -1.83 39.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 8.85 112.697 177.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.4 t . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 120.906 0.384 . . . . 8.24 110.564 -179.774 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 113.12 0.785 . . . . 12.54 113.12 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.466 HG12 ' CE1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -91.66 146.6 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.767 -0.827 . . . . 8.74 108.767 171.353 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -140.78 161.8 36.94 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.359 -0.537 . . . . 13.19 111.251 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.443 ' HG3' ' HB3' ' A' ' 16' ' ' GLU . 64.6 tt0 -113.18 135.76 53.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.671 -0.695 . . . . 8.1 109.56 176.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.78 -150.52 24.8 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.07 -0.586 . . . . 9.01 112.448 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.55 -66.28 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.922 2.415 . . . . 10.91 112.9 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -108.2 13.71 25.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.073 -0.512 . . . . 13.55 110.832 -175.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.443 ' HB3' ' HG3' ' A' ' 12' ' ' GLN . 5.5 tp10 -51.78 118.98 12.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.606 -0.724 . . . . 9.91 110.846 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.61 123.87 14.75 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.294 1.996 . . . . 9.95 110.698 175.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -60.38 -28.87 68.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.277 -0.42 . . . . 6.75 110.523 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.72 -23.24 64.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.748 0.309 . . . . 13.72 110.725 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.31 -39.86 14.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.271 0.558 . . . . 11.24 109.549 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.466 ' CE1' HG12 ' A' ' 10' ' ' ILE . 45.3 t80 -55.55 -41.28 73.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.296 -0.866 . . . . 7.3 109.875 173.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.05 -35.26 28.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.115 -0.948 . . . . 6.77 110.282 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.83 -48.4 72.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.005 -0.543 . . . . 11.68 111.602 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -70.79 -34.98 72.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.295 0.569 . . . . 11.36 109.734 -176.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.428 ' HA ' HG21 ' A' ' 10' ' ' ILE . 71.0 t80 -65.28 -43.31 91.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.031 -0.986 . . . . 7.02 111.334 177.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -84.4 -27.99 27.23 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.997 -0.547 . . . . 11.44 110.857 -169.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -72.09 -33.46 67.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.081 -0.509 . . . . 13.47 110.827 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 t -84.75 -27.16 27.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.73 -0.47 . . . . 9.35 109.73 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 55.3 tp -59.42 -37.84 79.08 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.556 -0.747 . . . . 9.09 110.789 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -82.82 -33.6 27.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 14.19 112.926 -173.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.17 -60.63 2.03 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 112.901 0.704 . . . . 11.93 112.901 -171.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -93.76 29.59 2.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.605 0.595 . . . . 10.89 112.605 -171.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.475 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 3.2 pt20 -71.49 70.62 0.64 Allowed 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.465 0.543 . . . . 11.52 112.465 -173.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.0 -65.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.742 0.645 . . . . 11.97 112.742 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.752 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 16.1 m -84.6 65.65 9.13 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.994 0.368 . . . . 12.02 111.994 -174.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.504 ' HG2' ' N ' ' A' ' 37' ' ' GLU . 4.8 pm0 -48.88 -46.67 42.97 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.598 0.962 . . . . 12.14 113.598 -172.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.504 ' N ' ' HG2' ' A' ' 36' ' ' GLN . 14.9 tt0 -49.7 -58.4 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.983 1.105 . . . . 14.44 113.983 -168.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.7 t -83.0 -23.82 8.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.224 0.535 . . . . 11.61 110.859 -174.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.752 ' HG2' ' O ' ' A' ' 35' ' ' SER . 70.6 mmtt -80.19 -35.63 36.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.951 -0.568 . . . . 9.78 110.63 -174.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.62 -36.07 64.11 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.932 0.396 . . . . 11.43 111.327 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.63 -29.79 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.118 0.485 . . . . 11.43 110.195 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.64 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -76.56 -34.86 58.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.663 -0.698 . . . . 9.19 110.849 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -48.11 -39.14 19.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.894 0.877 . . . . 7.35 112.291 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -83.62 -43.08 16.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.888 -0.596 . . . . 11.69 111.538 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 t -84.59 -22.26 30.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.068 -0.514 . . . . 11.34 111.43 -173.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.64 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -74.91 -38.33 61.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.537 -0.301 . . . . 8.22 110.807 -177.762 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.27 -43.9 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 5.99 111.464 177.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.603 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 18.8 m -82.39 -26.15 8.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.85 -0.34 . . . . 8.67 111.797 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.45 -58.0 9.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.338 -0.392 . . . . 12.22 111.56 -176.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -95.1 12.68 27.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.344 0.498 . . . . 8.3 112.344 -172.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . . . -77.47 171.23 15.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.961 0.41 . . . . 8.36 110.678 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.521 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 26.4 t-20 -65.84 134.33 95.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.857 -0.61 . . . . 9.4 109.418 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.478 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . 71.9 Cg_exo -37.91 -51.46 1.88 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.587 2.858 . . . . 11.66 113.783 -177.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.486 ' O ' ' HB ' ' A' ' 57' ' ' THR . 6.1 t70 -75.29 -39.05 60.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.081 0.467 . . . . 10.64 110.827 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.532 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 75.1 m -61.05 -45.31 95.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.434 -0.803 . . . . 8.04 111.627 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.603 ' HD2' ' O ' ' A' ' 48' ' ' VAL . 2.0 pttt -75.05 -23.87 58.16 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.144 -0.622 . . . . 10.04 110.465 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 21.4 m -62.57 -43.98 97.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.55 -0.75 . . . . 12.46 110.447 175.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.691 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 29.5 pt -83.97 -29.93 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 11.46 112.089 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 22.6 mt -44.31 -50.84 8.86 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.969 0.414 . . . . 11.84 111.983 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -78.16 -20.14 52.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.096 -0.502 . . . . 14.91 111.548 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.93 -40.72 27.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.455 -0.339 . . . . 15.64 110.872 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 2.2 pp . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.543 -0.299 . . . . 15.72 111.35 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.388 0.137 . . . . 12.22 111.115 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.67 -23.72 45.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.373 0.606 . . . . 16.53 109.723 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -63.96 -48.62 75.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.105 -0.952 . . . . 15.56 110.15 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.7 ptm -73.83 -25.56 60.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.952 -0.567 . . . . 10.3 110.612 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 47.1 ttm -70.68 -52.33 21.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.359 0.6 . . . . 11.15 110.178 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.8 m -62.4 -34.73 77.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.127 -0.942 . . . . 12.02 110.744 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.26 -20.28 66.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.956 -0.566 . . . . 9.32 111.909 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 60.6 m -117.16 10.59 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.603 0.594 . . . . 7.31 112.603 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -100.99 116.34 32.6 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.123 -0.631 . . . . 10.66 110.355 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.4 59.3 8.51 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.607 -0.724 . . . . 8.85 111.951 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.494 0.664 . . . . 8.24 110.237 -178.768 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.503 ' O ' HD12 ' A' ' 10' ' ' ILE . 6.8 m-20 . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 119.571 -0.252 . . . . 12.54 111.216 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.601 HD13 ' CD1' ' A' ' 25' ' ' PHE . 1.1 pp 29.39 50.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.359 1.064 . . . . 8.74 113.664 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.5 ' HG3' ' HB3' ' A' ' 9' ' ' ASP . 67.5 mtt180 -90.77 173.35 8.06 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.837 -0.801 . . . . 13.19 108.837 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 21' ' ' TYR . 41.1 tt0 -91.4 104.83 17.3 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.173 -0.611 . . . . 8.1 110.729 178.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.04 154.24 49.93 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 110.782 -0.927 . . . . 9.01 110.782 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.51 1.27 2.71 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.531 2.154 . . . . 10.91 113.322 -175.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -119.57 3.14 11.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.625 -0.261 . . . . 13.55 111.458 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.3 tp10 -91.36 120.11 68.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 111.778 0.288 . . . . 9.91 111.778 -168.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 16' ' ' GLU . 12.7 Cg_exo -71.49 142.31 40.27 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.903 2.402 . . . . 9.95 111.496 172.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 61.4 t80 -46.21 -57.84 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.17 0.804 . . . . 6.75 113.17 -172.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -53.6 -37.24 62.81 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.301 0.482 . . . . 13.72 112.301 -174.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 33.8 t70 -81.05 -43.87 18.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.022 0.439 . . . . 11.24 109.867 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 12' ' ' GLN . 5.5 t80 -50.75 -44.85 58.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.385 -0.825 . . . . 7.3 110.465 174.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 80.6 t -75.25 -33.83 29.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.249 -0.887 . . . . 6.77 110.658 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.57 -39.91 89.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.123 0.487 . . . . 11.68 110.298 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 25.5 mtp180 -69.08 -49.3 58.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.798 0.808 . . . . 11.36 109.394 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.601 ' CD1' HD13 ' A' ' 10' ' ' ILE . 48.8 t80 -62.08 -28.36 69.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.197 -1.365 . . . . 7.02 111.435 -176.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -89.52 -32.5 17.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.806 0.336 . . . . 11.44 110.956 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 16.8 pttp -69.49 -27.82 65.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.559 -0.291 . . . . 13.47 110.888 -174.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -72.15 -30.97 65.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 9.35 110.407 174.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 76.7 mt -70.12 -35.5 74.15 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.155 -0.475 . . . . 9.09 111.008 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -81.52 -26.01 35.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.182 0.515 . . . . 14.19 110.428 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.79 -30.39 56.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.591 -0.731 . . . . 11.93 111.639 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -82.68 -163.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.698 0.285 . . . . 10.89 110.637 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -60.43 150.16 31.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.711 0.767 . . . . 11.52 110.66 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 36' ' ' GLN . . . -74.88 -20.38 59.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.946 -1.025 . . . . 11.97 112.656 -171.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.408 ' O ' ' HE2' ' A' ' 39' ' ' LYS . 4.6 m -41.71 95.99 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.986 0.804 . . . . 12.02 112.375 -177.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 97.0 mt-30 -80.91 -30.65 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 12.14 111.432 -174.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.41 -35.83 65.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 14.44 111.801 -175.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.2 t -80.35 -43.4 21.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.968 0.413 . . . . 11.61 110.339 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' A' ' 35' ' ' SER . 51.7 mtmt -70.98 -50.28 36.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 9.78 111.51 -171.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 7.2 m120 -60.5 -35.68 76.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.097 -0.501 . . . . 11.43 112.153 -174.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.71 -39.86 23.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.871 0.367 . . . . 11.43 111.049 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -64.8 -51.42 62.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 9.19 111.077 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.6 p -55.4 -27.71 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.938 0.718 . . . . 7.35 112.938 -174.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 40' ' ' ASN . 43.0 mt-10 -58.99 -54.82 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.203 0.525 . . . . 11.69 110.098 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.0 m -78.72 -33.21 46.94 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.597 -0.729 . . . . 11.34 110.704 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -59.8 -53.76 54.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 8.22 110.654 -178.219 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.05 -27.21 68.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.221 0.534 . . . . 5.99 110.539 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.3 t -81.42 -24.42 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.555 -0.748 . . . . 8.67 110.623 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -79.68 -48.49 13.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.782 -0.645 . . . . 12.22 111.101 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.427 ' ND2' ' HA ' ' A' ' 11' ' ' ARG . 32.2 p-10 -94.17 14.23 20.76 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.18 0.437 . . . . 8.3 112.18 -174.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.12 166.55 17.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.853 0.358 . . . . 8.36 110.343 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.51 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 35.6 t30 -65.47 127.61 93.11 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 108.916 -0.772 . . . . 9.4 108.916 174.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.51 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 54.1 Cg_exo -37.63 -54.91 1.15 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.408 2.739 . . . . 11.66 113.4 -177.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.51 -42.11 98.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.643 0.735 . . . . 10.64 111.281 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.483 ' O ' HG12 ' A' ' 58' ' ' ILE . 42.7 t -62.41 -41.6 98.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.456 -1.247 . . . . 8.04 111.958 -173.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -78.8 -22.57 46.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.417 0.627 . . . . 10.04 110.29 177.453 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.448 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 29.5 m -68.83 -40.45 79.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.252 -0.885 . . . . 12.46 111.294 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.1 pt -65.39 -34.44 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.949 -0.301 . . . . 11.46 111.018 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.698 HD21 ' SG ' ' A' ' 75' ' ' CYS . 77.1 mt -57.82 -46.51 84.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.258 0.551 . . . . 11.84 110.916 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 57' ' ' THR . 18.1 ptmt -79.87 -19.45 48.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.677 -0.692 . . . . 14.91 110.484 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.55 -30.94 61.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.581 . . . . 15.64 110.606 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 74.5 mt . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.207 -0.451 . . . . 15.72 110.875 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.6 0.238 . . . . 12.22 111.258 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -79.15 -24.06 43.55 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.413 -0.515 . . . . 16.53 109.927 -174.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -64.5 -51.84 60.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.367 -0.833 . . . . 15.56 109.857 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -68.7 -28.17 66.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.894 -0.594 . . . . 10.3 110.787 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.565 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 40.1 ttp -71.14 -50.35 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.755 -0.461 . . . . 11.15 109.755 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.1 m -68.17 -33.24 74.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.513 -0.767 . . . . 12.02 111.454 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.12 -42.33 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.235 -0.439 . . . . 9.32 111.738 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.698 ' SG ' HD21 ' A' ' 59' ' ' LEU . 72.2 m -99.63 0.81 42.81 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.717 0.636 . . . . 7.31 112.717 -172.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -81.8 115.45 21.03 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.869 -0.733 . . . . 10.66 109.894 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.52 58.94 11.83 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.454 -0.794 . . . . 8.85 112.854 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.5 t . . . . . 0 N--CA 1.462 0.13 0 N-CA-C 109.806 -0.442 . . . . 8.24 109.806 177.696 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 11' ' ' ARG . 30.6 t70 . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 121.688 0.756 . . . . 12.54 110.488 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.434 ' H ' HG12 ' A' ' 10' ' ' ILE . 6.0 pt -74.6 20.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.554 -0.748 . . . . 8.74 111.714 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.452 ' H ' ' C ' ' A' ' 9' ' ' ASP . 16.1 ptt180 -91.95 171.04 9.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.64 -0.709 . . . . 13.19 109.579 177.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.494 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 57.2 tt0 -104.54 120.34 41.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.829 0.347 . . . . 8.1 110.159 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.27 169.82 50.96 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.725 -0.75 . . . . 9.01 111.802 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -55.74 -33.53 88.08 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.298 2.665 . . . . 10.91 113.862 -175.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -118.85 9.43 12.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.006 0.431 . . . . 13.55 110.853 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' CD ' HH12 ' A' ' 24' ' ' ARG . 7.7 tt0 -75.32 126.35 87.87 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 115.761 -0.654 . . . . 9.91 110.854 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 16' ' ' GLU . 16.9 Cg_exo -66.86 139.2 51.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.477 2.118 . . . . 9.95 112.544 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.68 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 77.4 t80 -48.79 -61.06 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.026 0.38 . . . . 6.75 112.026 -176.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -62.47 -7.78 5.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.292 0.479 . . . . 13.72 112.292 -175.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.502 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 14.6 t70 -87.89 -48.38 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.974 -0.29 . . . . 11.24 110.391 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 4.5 p90 -75.2 -31.8 61.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.529 -0.468 . . . . 7.3 110.45 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.8 t -68.92 -24.95 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.999 -0.546 . . . . 6.77 109.763 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 23.3 t70 -67.61 -36.36 80.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.883 -0.599 . . . . 11.68 110.181 -178.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -75.87 -35.22 59.96 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.421 -0.585 . . . . 11.36 109.421 177.219 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 83.4 t80 -62.08 -35.69 79.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.357 -0.838 . . . . 7.02 110.001 176.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.54 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 62.6 t80 -74.29 -34.16 63.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.815 -0.629 . . . . 11.44 109.694 -177.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 56.0 mtpt -58.23 -53.43 58.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.442 -0.799 . . . . 13.47 111.159 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.598 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 11.5 t -71.61 -25.56 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.954 -0.298 . . . . 9.35 110.447 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 22.3 tp -65.72 -30.86 71.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 9.09 110.439 -177.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 40.3 mtm180 -73.09 -27.78 61.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 14.19 110.336 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.63 -52.06 5.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.908 -0.587 . . . . 11.93 111.553 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.4 pt-20 -86.15 29.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.076 0.465 . . . . 10.89 111.368 -175.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -73.13 -5.44 39.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 11.52 110.961 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.13 -52.84 62.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.786 -0.643 . . . . 11.97 110.444 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 m -82.03 75.18 8.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.325 -0.621 . . . . 12.02 109.325 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.58 -42.39 92.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 12.14 112.251 -171.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -55.92 -48.97 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.448 0.536 . . . . 14.44 112.448 -176.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -78.12 -30.64 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 111.994 0.368 . . . . 11.61 111.994 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -28.89 42.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.108 0.48 . . . . 9.78 110.249 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.28 -22.03 59.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.524 0.678 . . . . 11.43 109.244 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.526 ' O ' HG22 ' A' ' 45' ' ' THR . . . -82.64 -41.85 18.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.513 -0.767 . . . . 11.43 109.647 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.673 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -58.95 -38.31 78.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.382 -0.826 . . . . 9.19 111.742 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 t -65.84 -35.0 79.44 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.467 -0.493 . . . . 7.35 111.046 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 45' ' ' THR . 11.3 pt-20 -85.78 -57.91 2.86 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.688 -0.405 . . . . 11.69 111.959 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 41' ' ' ALA . 14.6 t -86.21 -30.66 22.23 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.347 0.499 . . . . 11.34 112.347 -172.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.673 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 29.5 tp -83.91 -37.68 22.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.432 -0.507 . . . . 8.22 111.723 -174.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.1 mt -58.98 -34.7 72.13 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.48 -0.488 . . . . 5.99 111.441 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.49 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 17.0 m -82.04 -26.26 9.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.803 0.335 . . . . 8.67 110.923 176.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.2 -51.5 17.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.456 -0.338 . . . . 12.22 110.199 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -81.21 2.76 26.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.572 -0.286 . . . . 8.3 111.445 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -68.98 166.58 17.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 8.36 110.691 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.705 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 38.7 t30 -62.5 127.33 89.88 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.044 -0.724 . . . . 9.4 109.044 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.528 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 50.5 Cg_exo -36.79 -53.53 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.944 3.096 . . . . 11.66 114.001 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.4 -36.48 81.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.938 0.399 . . . . 10.64 111.352 -175.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.705 ' SG ' ' HB3' ' A' ' 52' ' ' ASN . 61.2 m -63.61 -54.33 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.833 -0.621 . . . . 8.04 110.979 -177.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' ' 53' ' ' PRO . 2.9 pttt -68.37 -23.9 64.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.161 0.505 . . . . 10.04 110.476 -177.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.1 m -63.14 -41.52 99.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.684 -0.689 . . . . 12.46 111.11 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 55' ' ' CYS . 2.9 pp -83.8 -22.37 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.771 -0.372 . . . . 11.46 111.671 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.591 HD11 ' SG ' ' A' ' 75' ' ' CYS . 66.2 mt -58.1 -42.77 86.39 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.263 0.554 . . . . 11.84 110.731 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -75.85 -21.75 56.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.893 -0.594 . . . . 14.91 110.543 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.22 -23.65 60.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 15.64 110.532 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 54.5 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-N 116.013 -0.54 . . . . 15.72 110.552 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 C--O 1.229 0.024 0 CA-C-O 120.363 0.125 . . . . 12.22 110.789 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.32 -25.25 62.33 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.338 0.589 . . . . 16.53 109.948 -176.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.38 -54.97 24.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.008 -0.996 . . . . 15.56 109.789 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.9 ptm -70.45 -28.19 64.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.681 -0.69 . . . . 10.3 110.721 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.68 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 46.9 ttp -68.76 -38.68 80.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.269 0.556 . . . . 11.15 109.788 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.3 m -84.26 -35.62 23.27 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.062 -0.972 . . . . 12.02 111.209 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.03 -52.7 11.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.978 -0.555 . . . . 9.32 112.233 -174.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.591 ' SG ' HD11 ' A' ' 59' ' ' LEU . 77.5 m -63.34 -24.22 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.402 0.519 . . . . 7.31 112.402 -173.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -81.11 115.31 20.48 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.098 -0.641 . . . . 10.66 110.244 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.65 -46.19 1.2 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.65 -0.786 . . . . 8.85 112.703 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.923 0.392 . . . . 8.24 110.851 -177.809 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.62 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 32.4 t70 . . . . . 0 C--O 1.227 -0.093 0 CA-C-O 121.079 0.466 . . . . 12.54 109.943 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.452 HD13 ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -53.05 85.34 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 113.813 1.042 . . . . 8.74 113.813 -177.465 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 2.4 ppt_? -135.68 131.61 35.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 13.19 110.108 173.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 13' ' ' GLY . 46.6 tt0 -75.44 135.09 40.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.947 -0.57 . . . . 8.1 112.04 -172.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.43 ' O ' ' HG2' ' A' ' 12' ' ' GLN . . . -100.39 -172.89 29.71 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.036 -0.825 . . . . 9.01 111.036 172.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.61 -13.55 20.14 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.793 2.329 . . . . 10.91 113.379 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -107.47 -34.48 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 13.55 111.546 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.642 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 2.9 tp10 -74.27 125.81 89.6 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.154 -0.476 . . . . 9.91 110.848 -177.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.36 131.8 31.34 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.491 2.127 . . . . 9.95 111.845 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.592 ' H ' ' HB3' ' A' ' 76' ' ' GLN . 70.4 t80 -45.07 -60.09 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.699 0.629 . . . . 6.75 112.699 -173.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -61.15 -22.76 65.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.668 0.271 . . . . 13.72 111.681 -174.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.03 -43.95 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.78 -0.452 . . . . 11.24 109.78 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.642 ' CD1' ' HG2' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -71.01 -38.73 72.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 7.3 109.888 177.103 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 18' ' ' PHE . 88.1 t -63.96 -25.38 38.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.572 -0.74 . . . . 6.77 110.582 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 36.7 t70 -54.01 -47.34 71.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.324 -0.398 . . . . 11.68 110.856 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -26.76 23.51 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.604 -0.438 . . . . 11.36 110.898 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.452 ' CE2' HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -59.38 -37.9 79.15 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.581 0.705 . . . . 7.02 109.864 173.129 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.54 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 67.0 t80 -77.12 -31.42 55.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.431 -0.804 . . . . 11.44 110.065 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 29.6 mmmt -60.16 -49.45 77.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.551 -0.749 . . . . 13.47 111.395 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -65.99 -25.09 66.93 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.872 0.368 . . . . 9.35 110.595 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 25' ' ' PHE . 3.5 mm? -72.93 -25.6 61.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 9.09 110.836 176.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.623 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 24.4 mmm180 -74.72 -21.2 59.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.084 0.469 . . . . 14.19 110.472 178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.88 -46.95 61.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.065 -0.516 . . . . 11.93 110.621 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.454 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 11.6 pt-20 -87.46 46.46 1.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.98 -0.555 . . . . 10.89 111.775 -176.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.6 mm100 -56.38 -19.78 16.34 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.267 0.469 . . . . 11.52 112.267 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.36 -40.37 58.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.124 0.416 . . . . 11.97 112.124 -172.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.655 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 23.8 m -82.6 54.86 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.698 0.258 . . . . 12.02 111.698 -176.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -56.09 -44.45 79.04 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.352 0.501 . . . . 12.14 112.352 -174.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.85 -29.49 70.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.037 0.446 . . . . 14.44 110.829 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.4 t -80.21 -41.79 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.895 -0.593 . . . . 11.61 110.208 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.655 ' HG3' ' O ' ' A' ' 35' ' ' SER . 43.5 mtpt -59.39 -41.14 88.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.705 -0.679 . . . . 9.78 111.795 -175.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -55.67 -47.97 75.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 11.43 110.998 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.04 -27.06 35.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.192 -0.458 . . . . 11.43 111.054 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -72.3 -48.29 43.4 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.993 -0.549 . . . . 9.19 112.105 -176.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 p -57.66 -49.35 76.77 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.088 0.47 . . . . 7.35 111.841 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.01 -34.71 78.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.548 -0.751 . . . . 11.69 111.961 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -87.05 -40.4 14.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.856 0.36 . . . . 11.34 110.988 -177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 1.7 mm? -69.21 -47.37 64.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.597 -0.729 . . . . 8.22 112.418 -174.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 98.5 mt -61.69 -30.56 70.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.117 0.485 . . . . 5.99 110.148 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.44 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 51.0 t -82.03 -37.36 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.551 -0.75 . . . . 8.67 111.174 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -70.55 -46.44 63.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.494 -0.321 . . . . 12.22 110.625 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -87.47 16.2 5.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.043 -0.526 . . . . 8.3 111.573 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . -84.6 166.01 17.51 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.892 -0.41 . . . . 8.36 109.892 174.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.603 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 45.9 t30 -63.86 128.23 92.63 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.174 -0.676 . . . . 9.4 109.174 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.516 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 45.4 Cg_exo -37.35 -53.9 1.25 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.607 2.871 . . . . 11.66 113.677 -177.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.66 -42.16 92.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.475 0.655 . . . . 10.64 110.951 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.603 ' SG ' ' HB3' ' A' ' 52' ' ' ASN . 63.8 m -66.46 -44.78 81.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.815 -1.084 . . . . 8.04 111.839 -174.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -75.44 -23.29 56.91 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.254 -0.578 . . . . 10.04 110.398 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.567 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 49.0 m -65.59 -42.01 92.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.438 -0.801 . . . . 12.46 111.487 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.9 pt -75.01 -27.53 20.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 O-C-N 122.132 -0.355 . . . . 11.46 111.452 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 66.4 mt -52.52 -44.22 65.6 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 111.966 0.358 . . . . 11.84 111.966 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 57' ' ' THR . 9.9 ptmm? -73.89 -21.07 60.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 14.91 110.632 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.99 -12.62 60.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.066 -0.516 . . . . 15.64 110.826 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 C--N 1.333 -0.152 0 CA-C-N 116.403 -0.362 . . . . 15.72 110.538 176.175 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 71' ' ' MET . 2.9 tm? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.448 0.166 . . . . 12.22 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.0 -25.28 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.208 0.528 . . . . 16.53 109.663 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -64.48 -54.06 38.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.17 -0.923 . . . . 15.56 109.863 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 26.8 ptm -63.47 -30.39 71.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.916 -0.583 . . . . 10.3 110.563 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.501 ' HA ' ' CD2' ' A' ' 18' ' ' PHE . 58.5 ttp -73.83 -48.54 30.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.772 -0.649 . . . . 11.15 110.41 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.8 m -78.54 -38.25 40.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.169 -0.923 . . . . 12.02 112.09 -174.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 78' ' ' VAL . . . -66.39 -37.37 85.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.284 0.475 . . . . 9.32 112.284 -173.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.401 ' SG ' HD11 ' A' ' 59' ' ' LEU . 64.2 m -76.88 -32.69 57.65 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.948 0.351 . . . . 7.31 111.948 -175.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.592 ' HB3' ' H ' ' A' ' 18' ' ' PHE . 12.3 pt20 -86.64 116.38 24.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.272 0.558 . . . . 10.66 110.381 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.13 -12.96 58.85 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.141 -0.784 . . . . 8.85 111.141 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 74' ' ' ALA . 58.9 t . . . . . 0 N--CA 1.456 -0.157 0 C-N-CA 123.619 0.768 . . . . 8.24 111.412 -177.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 11' ' ' ARG . 25.1 t70 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 121.33 0.586 . . . . 12.54 110.942 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.23 10.54 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 116.204 -0.453 . . . . 8.74 112.033 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.565 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 1.1 ppt_? -70.94 144.84 50.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.107 -0.497 . . . . 13.19 109.908 176.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.478 ' HG3' ' H ' ' A' ' 13' ' ' GLY . 12.0 tp60 -140.56 172.49 12.64 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.133 -0.627 . . . . 8.1 112.471 -170.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.505 ' HA2' ' HB2' ' A' ' 52' ' ' ASN . . . -113.3 -177.64 19.48 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 114.977 -1.01 . . . . 9.01 111.449 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.64 0.8 9.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 10.91 112.279 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -99.25 7.55 45.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.519 -0.764 . . . . 13.55 111.137 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -120.93 128.98 25.51 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.365 -0.38 . . . . 9.91 110.293 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 42.9 Cg_exo -57.62 138.01 84.05 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.909 2.406 . . . . 9.95 112.929 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.616 ' HA ' ' CE1' ' A' ' 21' ' ' TYR . 76.6 t80 -45.02 -61.18 1.72 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.651 0.594 . . . . 6.75 111.896 -175.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.95 -15.03 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 13.72 111.784 -172.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.82 -48.41 16.57 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.397 -0.223 . . . . 11.24 110.397 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.616 ' CE1' ' HA ' ' A' ' 18' ' ' PHE . 28.5 p90 -81.08 -17.16 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.504 0.668 . . . . 7.3 111.107 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 18' ' ' PHE . 99.2 t -78.49 -24.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 115.571 -0.741 . . . . 6.77 109.403 172.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.74 -39.84 84.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.282 0.563 . . . . 11.68 109.918 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.609 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -72.6 -37.92 67.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.296 -0.865 . . . . 11.36 109.512 178.653 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.57 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 36.3 t80 -62.46 -32.67 73.59 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.183 -0.917 . . . . 7.02 110.782 175.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -84.18 -19.02 34.77 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.853 -0.339 . . . . 11.44 110.757 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.609 ' HD2' ' HA ' ' A' ' 24' ' ' ARG . 11.4 ptmt -75.67 -25.06 56.44 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.087 0.47 . . . . 13.47 109.986 -176.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.575 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 7.7 t -85.1 -29.53 24.78 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.092 -0.504 . . . . 9.35 110.021 172.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 80.8 mt -73.44 -36.2 65.87 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.295 -0.411 . . . . 9.09 110.981 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -69.57 -23.76 63.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.281 0.562 . . . . 14.19 110.055 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.03 -56.23 5.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.405 -0.816 . . . . 11.93 109.939 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.6 pt-20 -87.93 39.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.166 0.507 . . . . 10.89 110.556 176.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -68.14 -8.98 43.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 11.52 111.834 -175.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.37 -56.66 18.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 11.97 110.788 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -83.89 97.69 9.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.035 0.445 . . . . 12.02 110.558 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -72.43 -26.13 61.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.986 0.422 . . . . 12.14 110.574 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.03 -40.29 87.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.674 . . . . 14.44 111.038 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.6 t -68.85 -39.85 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.18 -0.464 . . . . 11.61 110.502 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -61.34 -44.26 97.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.117 0.484 . . . . 9.78 110.697 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -58.01 -49.08 78.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.5 -0.773 . . . . 11.43 110.926 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.27 85.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.077 -0.51 . . . . 11.43 110.988 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -65.17 -50.65 65.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.964 -0.562 . . . . 9.19 111.439 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 p -57.6 -33.17 67.93 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.542 0.571 . . . . 7.35 112.542 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -85.12 -59.64 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.452 0.538 . . . . 11.69 112.452 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.7 m -83.91 -36.75 23.1 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.391 0.515 . . . . 11.34 112.391 -172.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 2.7 tm? -88.15 -39.69 14.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.309 -0.405 . . . . 8.22 111.096 -171.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' A' ' 25' ' ' PHE . 63.8 tp -62.69 -37.33 86.01 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.905 0.383 . . . . 5.99 111.14 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.7 -26.6 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.074 0.464 . . . . 8.67 110.305 176.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -66.87 -48.83 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.978 -0.555 . . . . 12.22 110.773 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.478 ' OD1' ' HA ' ' A' ' 47' ' ' LEU . 3.2 p-10 -78.59 1.06 23.89 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.239 -0.437 . . . . 8.3 111.336 -177.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.45 153.31 21.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.624 -0.51 . . . . 8.36 109.624 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.505 ' HB2' ' HA2' ' A' ' 13' ' ' GLY . 8.7 t30 -66.87 137.12 94.66 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.125 -0.489 . . . . 9.4 109.884 176.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -37.09 -49.61 1.58 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 124.081 3.187 . . . . 11.66 114.136 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -63.42 -29.45 70.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.046 0.451 . . . . 10.64 111.772 -174.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 24.8 m -83.48 -42.89 16.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.805 -0.634 . . . . 8.04 111.181 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -77.19 -34.78 56.15 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.292 -0.413 . . . . 10.04 111.714 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.3 t -56.59 -32.34 65.14 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.374 -0.376 . . . . 12.46 111.395 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.5 pt -85.6 -38.13 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.718 -0.393 . . . . 11.46 110.985 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.9 mt -50.68 -46.36 58.66 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.027 0.38 . . . . 11.84 112.027 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -71.03 -25.22 62.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.294 -0.412 . . . . 14.91 111.475 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.41 -33.09 23.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.132 0.492 . . . . 15.64 110.397 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.639 -0.71 . . . . 15.72 111.473 179.114 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.643 0.258 . . . . 12.22 110.381 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 9.3 pt-20 -60.49 -42.24 95.91 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.392 0.516 . . . . 16.53 112.392 -174.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 11.4 pt-20 -84.95 -20.66 30.28 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.311 -0.556 . . . . 15.56 111.765 -172.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.8 ptp -84.95 -30.56 24.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.827 -0.434 . . . . 10.3 109.827 173.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.411 ' HG3' ' HB3' ' A' ' 18' ' ' PHE . 54.3 ttp -64.97 -51.25 62.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.74 -0.663 . . . . 11.15 109.975 175.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.3 m -66.28 -22.88 66.31 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.144 -0.935 . . . . 12.02 110.913 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.48 -28.57 52.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.021 -0.536 . . . . 9.32 111.98 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 65.8 m -97.24 -13.17 22.18 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.844 0.312 . . . . 7.31 111.844 -175.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 4.0 pp0? -80.09 116.64 20.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.279 0.562 . . . . 10.66 109.934 176.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.51 58.59 9.05 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.858 -0.687 . . . . 8.85 111.784 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 109.547 -0.538 . . . . 8.24 109.547 179.0 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 CA--C 1.519 -0.225 0 N-CA-C 111.079 0.029 . . . . 12.54 111.079 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 32.15 58.33 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 124.335 1.054 . . . . 8.74 113.167 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -135.26 163.72 29.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.288 0.566 . . . . 13.19 111.401 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.507 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 8.2 tt0 -97.62 136.36 38.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.938 -1.028 . . . . 8.1 110.707 -175.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.41 -170.98 25.83 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.254 -0.738 . . . . 9.01 111.254 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.85 -20.55 39.19 Favored 'Trans proline' 0 CA--C 1.527 0.159 0 C-N-CA 122.522 2.148 . . . . 10.91 113.004 -176.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -119.29 8.77 11.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.524 -0.307 . . . . 13.55 111.31 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.8 tp10 -98.0 124.07 48.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.337 -0.392 . . . . 9.91 110.625 -176.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 16' ' ' GLU . 11.5 Cg_exo -70.93 148.69 58.03 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.469 2.113 . . . . 9.95 112.506 176.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.535 ' HB2' ' HB2' ' A' ' 75' ' ' CYS . 50.7 t80 -51.45 -60.73 2.81 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.777 0.322 . . . . 6.75 111.427 -178.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -66.11 -2.19 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 13.72 112.288 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.572 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 12.5 t70 -89.32 -54.84 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.582 -0.525 . . . . 11.24 109.582 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -74.26 -28.92 61.44 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.625 -0.43 . . . . 7.3 110.263 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.502 HG22 HD11 ' A' ' 47' ' ' LEU . 66.2 t -65.35 -27.63 42.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.312 0.577 . . . . 6.77 109.557 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.572 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 2.4 t70 -62.48 -45.11 94.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.511 -0.768 . . . . 11.68 109.565 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.433 ' HD3' ' O ' ' A' ' 20' ' ' ASP . 5.5 mpt_? -67.22 -49.13 65.66 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.197 -0.91 . . . . 11.36 108.942 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 59.2 t80 -53.52 -34.38 57.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.713 -1.13 . . . . 7.02 111.77 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -87.67 -43.06 12.21 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 120.942 0.401 . . . . 11.44 110.363 -171.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -82.55 -20.64 36.2 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.467 -0.493 . . . . 13.47 111.522 -173.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.9 p -81.57 -29.42 33.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 9.35 109.827 172.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -61.53 -36.12 79.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.398 -0.819 . . . . 9.09 109.328 177.45 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -78.28 -20.78 50.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.364 -0.834 . . . . 14.19 110.41 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.06 -36.22 59.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 11.93 110.732 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.42 -154.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 10.89 109.844 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -59.84 104.87 0.33 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.473 0.654 . . . . 11.52 111.18 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.36 -19.46 60.43 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.691 -1.141 . . . . 11.97 112.094 -176.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -49.52 108.83 0.22 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.225 0.535 . . . . 12.02 111.161 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.52 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . 78.5 mt-30 -70.81 -25.04 62.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.565 -0.743 . . . . 12.14 112.437 -171.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -49.08 -45.41 43.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.354 0.501 . . . . 14.44 112.354 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.8 t -87.16 -36.25 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.4 0.619 . . . . 11.61 110.37 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.539 ' HD2' HD21 ' A' ' 29' ' ' LEU . 45.5 mmtm -71.73 -38.49 70.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.369 -0.832 . . . . 9.78 112.705 -170.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.52 ' ND2' ' HB3' ' A' ' 36' ' ' GLN . 94.2 m-20 -61.51 -48.63 80.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.561 0.22 . . . . 11.43 110.657 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.85 -31.89 71.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 11.43 111.061 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.34 -61.0 2.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.266 -0.425 . . . . 9.19 111.069 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.8 p -50.2 -38.29 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.57 0.952 . . . . 7.35 113.57 -172.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -52.15 -58.08 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.661 0.267 . . . . 11.69 111.66 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 p -84.57 -29.29 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.967 0.413 . . . . 11.34 111.826 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.49 -35.84 79.93 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.376 -0.375 . . . . 8.22 110.807 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.502 HD11 HG22 ' A' ' 22' ' ' VAL . 54.3 tp -65.7 -44.62 85.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.546 0.212 . . . . 5.99 111.291 -178.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 34.9 m -71.3 -28.39 32.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-O 120.89 0.376 . . . . 8.67 110.796 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -71.13 -21.46 62.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.11 -0.495 . . . . 12.22 110.671 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -95.81 20.48 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.015 -0.539 . . . . 8.3 111.37 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.507 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -93.61 -179.42 5.02 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.305 -0.558 . . . . 8.36 109.89 177.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.58 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 17.8 t-20 -76.01 139.9 69.69 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.604 -0.517 . . . . 9.4 109.604 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -38.92 -52.91 2.08 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.25 2.634 . . . . 11.66 113.211 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.615 ' O ' ' HB ' ' A' ' 57' ' ' THR . 5.1 t70 -69.29 -39.16 78.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 10.64 110.431 -177.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.623 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 81.0 m -64.19 -43.85 93.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.416 -0.811 . . . . 8.04 110.806 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HG3' ' HB3' ' A' ' 51' ' ' ALA . 4.7 mtpm? -60.82 -38.86 86.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.414 0.626 . . . . 10.04 109.416 175.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.615 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 85.5 m -55.01 -41.56 71.43 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.436 -1.256 . . . . 12.46 111.845 178.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.595 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 43.9 pt -86.4 -36.19 10.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 121.028 -0.269 . . . . 11.46 111.236 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 55.0 mt -55.71 -40.66 72.72 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.534 -0.303 . . . . 11.84 111.764 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -73.51 -19.01 61.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.893 0.378 . . . . 14.91 111.159 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.29 -41.78 19.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.345 -0.389 . . . . 15.64 110.964 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 1.9 pp . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 111.984 0.364 . . . . 15.72 111.984 -176.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tm? . . . . . 0 CA--C 1.533 0.303 0 CA-C-O 120.903 0.383 . . . . 12.22 110.539 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.86 -29.58 61.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.48 -0.327 . . . . 16.53 111.795 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.83 -48.13 55.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.343 0.592 . . . . 15.56 109.798 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.496 ' HB2' HD22 ' A' ' 59' ' ' LEU . 27.2 ptm -66.66 -23.54 66.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.211 -0.904 . . . . 10.3 110.321 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 40.2 ttm -65.41 -47.1 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.708 -0.678 . . . . 11.15 109.777 173.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.7 m -66.29 -34.72 78.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.257 -0.883 . . . . 12.02 110.882 176.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 78' ' ' VAL . . . -59.68 -38.65 82.1 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.477 0.547 . . . . 9.32 112.477 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 54.1 m -81.01 -41.99 21.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.736 0.303 . . . . 7.31 111.51 -176.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -71.3 116.08 11.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.176 0.512 . . . . 10.66 110.042 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.93 5.61 61.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.995 -0.621 . . . . 8.85 111.735 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 74' ' ' ALA . 36.7 t . . . . . 0 C--O 1.235 0.297 0 C-N-CA 123.812 0.845 . . . . 8.24 111.623 -176.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.743 0.306 . . . . 20.97 111.045 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -90.51 27.98 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.235 0.541 . . . . 22.1 111.314 -174.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 31.2 t -140.64 58.67 10.27 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.944 -0.571 . . . . 17.23 109.795 174.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 3' ' ' SER . 74.5 Cg_endo -95.34 -161.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 122.96 2.44 . . . . 15.76 112.52 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.4 m -66.74 -18.79 65.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.013 0.435 . . . . 15.79 110.667 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -56.21 -21.07 21.0 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.869 -0.605 . . . . 13.32 111.611 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.6 mm -75.55 -26.74 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.349 0.595 . . . . 12.15 110.372 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mp -83.91 -18.82 36.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 13.09 110.049 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -91.59 -43.85 9.4 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.313 -0.858 . . . . 12.54 111.942 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.487 HG13 ' HB2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER 33.27 29.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 116.028 1.862 . . . . 8.74 116.028 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -72.11 132.88 44.79 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 119.321 0.964 . . . . 13.19 110.371 -179.274 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.502 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 44.2 tt0 -63.82 129.18 39.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.986 -1.006 . . . . 8.1 111.724 -176.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.85 154.25 30.55 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.638 -0.985 . . . . 9.01 110.638 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.88 -23.06 48.93 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.762 2.308 . . . . 10.91 113.616 -174.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -91.73 -12.51 33.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.842 0.353 . . . . 13.55 110.892 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 4.2 tp10 -88.81 131.42 41.56 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.072 -0.513 . . . . 9.91 111.116 -169.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HA ' ' H ' ' A' ' 77' ' ' GLY . 19.4 Cg_endo -63.78 128.55 22.37 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.966 1.777 . . . . 9.95 111.178 171.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' O ' HG23 ' A' ' 22' ' ' VAL . 72.0 t80 -43.62 -61.36 1.42 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.829 0.706 . . . . 6.75 112.724 -172.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.543 ' HB3' HE21 ' A' ' 76' ' ' GLN . 9.5 tpt180 -64.56 -17.75 64.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.004 0.372 . . . . 13.72 112.004 -173.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . 16.6 t70 -78.02 -39.02 43.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.35 . . . . 11.24 110.299 -178.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.535 ' CD2' ' HD3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -79.76 -32.37 41.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.511 -0.551 . . . . 7.3 109.511 176.733 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 18' ' ' PHE . 94.4 t -65.35 -26.27 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.915 -0.584 . . . . 6.77 110.106 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -58.88 -40.12 83.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 11.68 111.685 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.696 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -84.53 -19.22 33.55 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.128 -0.629 . . . . 11.36 110.163 -177.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.487 ' HB2' HG13 ' A' ' 10' ' ' ILE . 88.2 t80 -69.14 -33.91 74.18 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.753 -0.832 . . . . 7.02 108.753 168.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -73.22 -28.07 61.96 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.149 -0.932 . . . . 11.44 109.365 -175.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 16.2 ptmt -75.04 -24.02 58.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.593 -0.73 . . . . 13.47 110.217 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.654 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 30.4 p -84.51 -35.61 22.8 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.204 -0.665 . . . . 9.35 109.204 174.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 52.6 tp -67.61 -34.04 76.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.347 -0.842 . . . . 9.09 110.219 -177.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -72.73 -25.84 61.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.58 -0.736 . . . . 14.19 110.681 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.0 -57.69 2.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.858 -0.61 . . . . 11.93 111.42 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.654 ' HG2' ' O ' ' A' ' 28' ' ' THR . 14.3 pt-20 -88.23 38.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.916 0.389 . . . . 10.89 111.837 -175.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 10.8 pt20 -84.01 41.53 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.22 0.533 . . . . 11.52 111.816 -177.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.88 -63.1 1.43 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.997 -0.547 . . . . 11.97 110.116 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.8 t -83.59 73.5 10.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 12.02 110.169 175.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.74 -31.19 68.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.484 . . . . 12.14 110.242 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.03 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.424 -0.807 . . . . 14.44 111.8 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.2 t -84.13 -34.75 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.019 0.438 . . . . 11.61 109.835 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.521 ' HE2' ' O ' ' A' ' 32' ' ' GLU . 44.9 mmtm -61.7 -52.48 64.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.6 . . . . 9.78 111.167 -178.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.443 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 8.7 t30 -60.87 -44.3 97.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.651 -0.25 . . . . 11.43 110.792 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.79 76.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 11.43 110.728 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.2 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.121 -0.491 . . . . 9.19 110.565 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 39' ' ' LYS . 66.2 p -48.54 -33.33 9.4 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.869 0.692 . . . . 7.35 112.869 -175.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 40' ' ' ASN . 45.5 mt-10 -55.09 -58.43 7.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.114 0.483 . . . . 11.69 111.236 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.9 t -85.07 -26.75 26.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.82 -0.627 . . . . 11.34 110.997 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.437 ' HB3' ' HA ' ' A' ' 43' ' ' THR . 3.0 tm? -64.53 -57.6 8.71 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 116.089 -0.505 . . . . 8.22 111.418 -175.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.495 HD12 HG22 ' A' ' 22' ' ' VAL . 3.4 mm? -64.49 -30.9 71.93 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.35 0.5 . . . . 5.99 112.35 -174.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.562 ' O ' ' HE2' ' A' ' 56' ' ' LYS . 35.6 m -77.55 -33.25 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.304 -0.558 . . . . 8.67 110.892 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -80.27 -22.73 41.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.741 . . . . 12.22 110.112 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -69.16 -17.62 63.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.865 -1.062 . . . . 8.3 111.028 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -77.12 157.51 30.97 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.087 -0.506 . . . . 8.36 110.521 -175.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -69.66 145.51 95.01 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 108.382 -0.97 . . . . 9.4 108.382 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -37.76 -49.38 2.01 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.602 2.868 . . . . 11.66 113.644 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.65 -38.21 90.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.341 0.591 . . . . 10.64 111.192 -176.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.6 t -67.06 -49.13 66.16 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.065 -0.97 . . . . 8.04 112.285 -175.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.562 ' HE2' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -69.17 -29.06 66.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.746 -0.596 . . . . 10.04 110.033 178.149 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.401 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 55.2 m -61.0 -44.97 96.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.257 -0.883 . . . . 12.46 111.404 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.723 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.7 pt -73.44 -37.75 51.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.602 -0.439 . . . . 11.46 111.192 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 56' ' ' LYS . 27.3 mt -46.73 -48.5 20.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.976 0.417 . . . . 11.84 111.72 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 57' ' ' THR . 14.4 ptmt -79.59 -18.55 51.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.052 -0.522 . . . . 14.91 111.521 -177.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.47 -42.78 19.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.801 0.334 . . . . 15.64 111.085 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 1.7 pp -101.98 1.09 36.25 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.9 0.333 . . . . 15.72 111.9 -176.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.498 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -43.13 -52.99 5.74 Favored Glycine 0 CA--C 1.526 0.762 0 O-C-N 123.865 0.728 . . . . 16.17 114.053 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 63' ' ' GLY . 9.7 Cg_endo -54.59 -36.77 90.09 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.973 2.449 . . . . 17.44 113.662 177.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.65 -4.47 59.19 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.814 -0.708 . . . . 15.83 112.299 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HB1' ' N ' ' A' ' 71' ' ' MET . . . -121.76 108.06 13.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.953 0.406 . . . . 14.15 110.447 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.5 m -60.11 -73.22 0.09 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.562 -0.745 . . . . 15.45 112.55 -175.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -148.46 -54.64 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.133 0.492 . . . . 12.22 109.708 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -76.03 -28.48 57.74 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.057 -0.72 . . . . 16.53 109.057 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -65.43 -47.5 76.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.896 -1.047 . . . . 15.56 110.619 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.457 ' N ' ' HB1' ' A' ' 66' ' ' ALA . 17.0 ptp -69.48 -27.99 65.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.96 0.41 . . . . 10.3 110.291 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.439 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 59.6 ttp -69.76 -43.06 73.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 11.15 109.906 176.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.8 m -69.57 -33.12 72.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.54 -0.755 . . . . 12.02 110.445 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.68 -35.25 74.09 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.869 -0.605 . . . . 9.32 111.066 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 70.2 m -95.12 -4.4 46.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.881 -0.599 . . . . 7.31 111.293 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.543 HE21 ' HB3' ' A' ' 19' ' ' ARG . 92.8 mt-30 -80.4 114.67 19.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.136 -0.69 . . . . 10.66 109.136 171.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.436 ' H ' ' HA ' ' A' ' 17' ' ' PRO . . . 63.09 68.3 1.72 Allowed Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.708 -0.758 . . . . 8.85 111.438 -174.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.9 t -57.42 102.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-O 120.811 0.339 . . . . 8.24 110.689 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.86 16.24 67.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.05 -0.595 . . . . 10.49 112.131 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 83' ' ' HIS . . . 75.38 116.74 0.11 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.548 -0.358 . . . . 10.42 112.427 -176.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -56.69 -44.3 46.63 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.849 2.366 . . . . 12.1 112.397 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -106.68 16.86 39.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 11.07 111.868 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.424 ' CG ' ' HA3' ' A' ' 80' ' ' GLY . 14.4 m-70 -90.34 148.5 22.81 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.04 0.447 . . . . 10.71 110.042 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -82.49 -12.42 57.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.893 -0.594 . . . . 12.21 109.453 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.511 ' O ' ' HG ' ' A' ' 88' ' ' LEU . . . -58.24 -42.62 86.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.685 -1.143 . . . . 8.99 110.792 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.632 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 5.3 ptp180 -67.7 -34.6 77.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.167 -0.469 . . . . 10.56 110.913 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 49.1 t -71.8 -33.65 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.437 0.637 . . . . 7.9 110.043 -173.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 85' ' ' ALA . 4.0 pp -82.3 -34.53 28.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.39 -0.823 . . . . 8.66 109.541 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.02 77.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.657 -0.701 . . . . 7.41 110.735 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.632 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 52.5 mt-10 -65.67 -31.74 72.93 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.968 0.413 . . . . 8.34 110.42 177.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.6 -35.44 30.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.26 0.552 . . . . 7.39 110.202 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.426 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 4.3 mmt -66.33 -41.66 89.29 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.346 -0.843 . . . . 10.32 110.339 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.9 t -64.42 -38.87 92.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.905 -0.589 . . . . 9.14 110.111 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.51 ' HA ' HG21 ' A' ' 100' ' ' THR . 62.2 tt0 -61.67 -43.51 98.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.703 -0.68 . . . . 9.08 111.833 -173.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.2 p -76.68 -25.21 15.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.915 0.388 . . . . 10.49 111.19 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.8 m -83.72 -50.92 7.69 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.168 0.433 . . . . 11.8 112.168 -174.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -114.98 136.82 22.63 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.23 0.538 . . . . 11.34 111.305 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.643 ' O ' HG12 ' A' ' 101' ' ' ILE . 71.2 Cg_endo -75.46 -0.99 10.76 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.134 2.556 . . . . 12.7 112.555 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.53 62.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.163 0.506 . . . . 11.25 110.705 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.51 HG21 ' HA ' ' A' ' 94' ' ' GLN . 8.7 p -76.39 -25.17 54.3 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.769 -0.65 . . . . 10.63 111.28 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.643 HG12 ' O ' ' A' ' 98' ' ' PRO . 35.6 pt -79.96 -28.19 12.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.475 -0.49 . . . . 12.53 110.039 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.3 tpt -69.05 -43.37 74.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.962 -0.563 . . . . 13.25 109.846 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.4 HG22 ' HA ' ' A' ' 100' ' ' THR . 17.2 tt -75.51 -18.51 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.267 0.556 . . . . 11.41 109.803 178.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -72.42 -41.48 66.17 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.239 -0.652 . . . . 11.93 109.239 175.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -69.07 -40.42 78.48 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.717 -0.475 . . . . 14.37 109.717 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.34 -21.47 66.46 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.533 -0.758 . . . . 12.03 112.453 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -61.35 -22.36 64.85 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.064 0.459 . . . . 12.33 110.721 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -66.98 -25.21 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 14.51 110.43 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -79.89 -27.17 40.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.071 -0.513 . . . . 15.12 109.983 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -83.21 140.49 32.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.619 -0.719 . . . . 13.93 110.606 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -82.04 86.35 6.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.161 0.505 . . . . 14.01 110.183 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -83.82 20.86 1.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.681 -0.69 . . . . 14.43 110.714 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.545 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 25.5 tptt -81.28 12.11 3.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.766 -0.652 . . . . 12.41 111.329 -175.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.3 m -77.14 -14.83 59.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.314 0.578 . . . . 10.8 110.438 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.12 -30.63 50.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.512 -0.767 . . . . 11.44 111.784 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 22.3 pttp -61.68 124.95 22.14 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.302 0.572 . . . . 10.72 110.392 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' A' ' 125' ' ' HIS . 4.6 t -64.97 108.9 1.93 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.079 -0.964 . . . . 8.16 110.546 -171.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -72.94 65.12 0.73 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.767 -0.651 . . . . 7.76 112.01 -175.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 176.1 -32.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.378 -0.828 . . . . 8.9 109.176 175.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 17.4 m -99.38 -22.38 15.57 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.978 -0.555 . . . . 9.54 110.82 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.95 -32.23 7.7 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.858 -0.687 . . . . 9.05 113.753 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -109.68 163.01 13.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.946 0.373 . . . . 12.7 110.934 -173.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 9.5 pt-20 -88.42 25.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 12.54 111.446 -177.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.57 -22.05 78.69 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.79 -0.719 . . . . 11.83 111.468 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.475 ' HB2' ' SG ' ' A' ' 117' ' ' CYS . 1.9 m80 -131.06 -171.13 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.056 -0.72 . . . . 11.94 109.056 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.448 ' N ' HD13 ' A' ' 126' ' ' ILE . 0.1 OUTLIER -132.47 129.04 58.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 108.432 -0.951 . . . . 12.22 108.432 171.221 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -58.57 -19.03 34.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.075 -0.511 . . . . 9.79 112.258 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.431 ' HG3' ' OD1' ' A' ' 129' ' ' ASN . 18.4 ptpt -73.52 -24.6 60.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.568 -0.287 . . . . 13.15 111.391 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.431 ' OD1' ' HG3' ' A' ' 128' ' ' LYS . 6.1 m-20 -117.24 -18.75 9.87 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.005 0.431 . . . . 14.48 111.047 -176.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 43.9 t -88.58 100.36 13.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.116 0.484 . . . . 11.41 110.969 -176.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -98.49 100.96 12.26 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.926 -0.579 . . . . 17.31 109.629 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -151.41 117.69 3.23 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.763 -0.653 . . . . 11.89 110.824 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.63 70.79 2.65 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 123.006 2.47 . . . . 13.32 111.623 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -74.18 -74.1 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.647 -0.706 . . . . 12.3 109.814 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 136' ' ' LYS . 9.3 pttp -149.32 -167.41 2.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.663 . . . . 10.11 110.064 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 135' ' ' LYS . 45.3 mmtm 73.42 -30.52 0.21 Allowed 'General case' 0 C--O 1.232 0.16 0 O-C-N 124.373 1.046 . . . . 11.69 111.283 -175.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 135' ' ' LYS . . . 87.92 -126.53 8.1 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.053 -0.594 . . . . 9.53 112.013 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 145' ' ' GLY . 1.4 t -78.92 116.19 19.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.718 0.294 . . . . 12.01 110.756 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -95.8 -9.32 31.95 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.145 -0.687 . . . . 11.32 109.145 175.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -79.71 -54.82 5.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.119 -0.946 . . . . 16.11 112.146 -168.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 1.8 p -123.02 -19.22 6.15 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.418 -0.513 . . . . 13.97 111.433 -173.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -105.41 -44.79 1.41 Allowed Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.337 -0.935 . . . . 12.26 111.593 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 143' ' ' LYS . 2.2 tmtp? 71.82 -63.36 0.43 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.712 0.805 . . . . 15.88 110.257 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -85.19 -9.22 58.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.045 -0.525 . . . . 14.2 111.233 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 138' ' ' CYS . . . -166.19 -160.16 13.06 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.324 -0.941 . . . . 13.35 113.124 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 138' ' ' CYS . 25.6 t-80 77.72 144.87 0.08 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.671 1.189 . . . . 14.96 111.077 -175.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -76.49 115.54 16.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.611 -0.722 . . . . 15.24 110.842 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -18.19 65.19 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.387 0.514 . . . . 13.85 112.387 -177.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -81.96 -23.73 35.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.289 . . . . 16.38 111.175 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.82 20.21 18.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.204 0.526 . . . . 17.63 110.581 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 4.8 t -102.24 85.02 2.57 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.731 -0.668 . . . . 15.97 109.818 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 11.5 t -91.75 130.91 37.45 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.367 -0.605 . . . . 18.95 109.367 176.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.98 109.13 4.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.025 -0.534 . . . . 19.35 110.583 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -141.1 115.64 9.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.082 -0.508 . . . . 23.48 110.234 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 57.7 38.14 27.48 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.606 0.717 . . . . 22.51 110.666 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -137.33 -65.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.88 -0.6 . . . . 23.3 110.364 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.304 -0.855 . . . . 24.3 109.3 178.305 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.859 0.361 . . . . 20.97 110.583 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -155.54 104.6 2.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.72 -0.474 . . . . 22.1 109.72 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 m -123.76 94.45 45.99 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.031 -0.531 . . . . 17.23 110.692 -177.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.18 168.83 22.21 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.635 2.223 . . . . 15.76 112.356 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 m -63.94 -23.2 67.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 15.79 111.49 -177.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -57.43 -17.58 13.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 13.32 111.939 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 10' ' ' ILE . 68.0 mt -79.88 -36.0 16.7 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 CA-C-O 121.022 0.439 . . . . 12.15 110.617 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 8' ' ' LEU . 6.4 mp -83.19 -19.49 36.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.662 0.744 . . . . 13.09 109.676 177.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -105.97 28.42 7.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.899 -1.046 . . . . 12.54 110.849 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.527 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -66.64 40.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 113.62 0.97 . . . . 8.74 113.62 -178.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' HG2' ' OD1' ' A' ' 50' ' ' ASN . 81.7 mtt180 -76.34 150.44 36.87 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.127 -1.064 . . . . 13.19 108.127 172.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -127.69 157.13 41.12 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.089 -1.044 . . . . 8.1 113.36 -171.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.443 ' HA2' ' HB2' ' A' ' 52' ' ' ASN . . . -109.96 -172.69 20.42 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 114.2 -1.364 . . . . 9.01 111.205 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.632 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 93.8 Cg_endo -86.96 22.59 0.92 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.854 2.369 . . . . 10.91 112.942 -173.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.81 4.58 11.0 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.834 -0.346 . . . . 13.55 111.524 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.54 130.06 31.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 112.186 0.439 . . . . 9.91 112.186 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.09 146.1 51.22 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.369 2.046 . . . . 9.95 110.123 165.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.483 ' CG ' ' HA ' ' A' ' 72' ' ' MET . 82.4 t80 -45.57 -59.13 2.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.393 0.516 . . . . 6.75 112.393 -174.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 20' ' ' ASP . 6.6 ppt_? -58.63 -19.52 39.7 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.864 0.69 . . . . 13.72 112.864 -176.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.487 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 37.2 t70 -87.94 -42.22 12.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.324 0.583 . . . . 11.24 109.742 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -46.51 85.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 7.3 109.442 173.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.75 -29.69 47.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.162 -0.927 . . . . 6.77 111.241 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.09 -46.9 72.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 11.68 111.875 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -31.87 23.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.747 0.308 . . . . 11.36 110.386 -178.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.455 ' CD2' HD23 ' A' ' 47' ' ' LEU . 90.4 t80 -67.4 -29.97 69.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.445 -0.343 . . . . 7.02 110.88 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -75.1 -24.32 58.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.463 0.649 . . . . 11.44 109.476 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -62.95 -28.96 70.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.036 -0.984 . . . . 13.47 110.811 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -70.25 -34.83 73.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.096 0.474 . . . . 9.35 110.107 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 11.1 mp -66.58 -26.97 67.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.714 -0.675 . . . . 9.09 110.793 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -80.1 -27.78 39.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.053 -0.521 . . . . 14.19 110.299 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.44 -24.91 27.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.735 -0.666 . . . . 11.93 111.89 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 29' ' ' LEU . 11.6 pt-20 -86.02 -167.28 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 10.89 110.789 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -62.02 150.77 37.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.213 0.53 . . . . 11.52 110.352 175.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.93 -20.42 49.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.623 -0.717 . . . . 11.97 111.955 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.3 m -50.47 107.25 0.15 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.676 0.61 . . . . 12.02 111.814 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -74.1 -27.84 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.871 -0.604 . . . . 12.14 111.436 -176.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.38 -32.64 70.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.433 -0.349 . . . . 14.44 111.167 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.4 -36.57 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.37 -0.377 . . . . 11.61 110.374 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.68 -46.78 83.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.885 -0.598 . . . . 9.78 111.391 -175.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -63.42 -36.3 83.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.377 -0.374 . . . . 11.43 111.556 -176.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.04 -28.85 43.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.086 0.47 . . . . 11.43 110.916 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.38 -60.43 2.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 9.19 111.289 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 p -57.83 -31.18 66.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.866 -0.606 . . . . 7.35 112.484 -173.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 45' ' ' THR . 9.4 pt-20 -55.43 -49.19 73.05 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 121.002 -0.279 . . . . 11.69 110.96 -176.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 8.9 t -87.24 -35.51 18.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.074 0.464 . . . . 11.34 110.823 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -69.4 -36.87 77.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 8.22 111.456 -172.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.455 HD23 ' CD2' ' A' ' 25' ' ' PHE . 3.5 tm? -66.66 -47.33 72.83 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.775 0.321 . . . . 5.99 110.21 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.722 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 34.9 m -72.25 -27.08 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.991 0.424 . . . . 8.67 111.767 -176.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.538 ' HA ' ' NZ ' ' A' ' 56' ' ' LYS . 14.8 mm100 -76.64 -19.34 57.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.66 0.266 . . . . 12.22 111.4 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.42 ' OD1' ' HG2' ' A' ' 11' ' ' ARG . 14.2 t30 -96.81 10.76 37.94 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.175 -0.466 . . . . 8.3 111.546 -174.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.09 178.11 4.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.916 0.389 . . . . 8.36 110.982 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.443 ' HB2' ' HA2' ' A' ' 13' ' ' GLY . 22.5 t-20 -71.56 141.9 85.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.813 -0.63 . . . . 9.4 110.469 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 56' ' ' LYS . 58.9 Cg_exo -37.12 -50.51 1.56 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.547 2.832 . . . . 11.66 113.516 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' A' ' 57' ' ' THR . 10.8 t70 -65.07 -45.17 86.42 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.272 0.558 . . . . 10.64 111.034 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.632 ' SG ' ' HA ' ' A' ' 14' ' ' PRO . 58.4 m -64.31 -36.0 82.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.289 -0.868 . . . . 8.04 111.185 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.722 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 16.0 mtpp -70.58 -40.92 73.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.588 0.708 . . . . 10.04 109.311 175.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 18.4 m -54.03 -53.23 55.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.36 -1.291 . . . . 12.46 112.332 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.64 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 26.5 pt -57.53 -40.45 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.834 0.309 . . . . 11.46 111.834 -177.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.504 HD21 ' SG ' ' A' ' 75' ' ' CYS . 73.0 mt -59.57 -47.21 86.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.028 0.442 . . . . 11.84 111.157 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -80.31 -20.5 44.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.188 -0.46 . . . . 14.91 110.632 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.88 -13.19 59.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 15.64 111.006 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 66.1 mt -68.8 -34.85 76.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.084 0.469 . . . . 15.72 110.364 175.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.27 -74.89 0.43 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.82 -0.705 . . . . 16.17 112.336 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -69.77 -8.45 23.63 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.72 2.28 . . . . 17.44 112.701 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.81 3.08 71.24 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.667 -0.778 . . . . 15.83 111.996 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' HD12 ' A' ' 62' ' ' LEU . . . 68.23 106.06 0.05 Allowed 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 121.391 0.615 . . . . 14.15 111.443 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -72.16 -72.06 0.25 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 15.45 111.611 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -143.67 -63.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.152 -0.343 . . . . 12.22 110.298 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -70.24 -24.09 63.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.404 0.621 . . . . 16.53 109.961 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 66' ' ' ALA . 14.1 mt-10 -67.48 -49.0 65.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.201 -0.909 . . . . 15.56 110.196 178.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.408 ' HB3' ' HB1' ' A' ' 66' ' ' ALA . 20.8 ptp -68.97 -27.36 65.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 10.3 110.341 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.483 ' HA ' ' CG ' ' A' ' 18' ' ' PHE . 47.4 ttm -64.96 -51.98 58.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.122 0.487 . . . . 11.15 109.85 176.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.4 m -63.81 -28.97 70.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.262 -0.881 . . . . 12.02 111.15 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.2 20.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.67 -0.696 . . . . 9.32 111.682 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.504 ' SG ' HD21 ' A' ' 59' ' ' LEU . 72.0 m -87.58 10.63 17.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.995 0.369 . . . . 7.31 111.995 -176.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -104.78 123.27 47.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.378 -0.601 . . . . 10.66 109.378 173.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.7 17.21 76.47 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.662 -0.78 . . . . 8.85 111.915 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.78 117.48 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.299 0.571 . . . . 8.24 110.561 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.11 -4.58 77.93 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.874 -0.679 . . . . 10.49 111.879 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.43 130.99 41.23 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.874 -0.679 . . . . 10.42 111.498 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.38 75.94 0.51 Allowed 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.075 2.517 . . . . 12.1 112.985 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.65 65.42 2.9 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 116.003 -0.544 . . . . 11.07 112.294 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -79.14 74.6 5.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.723 0.773 . . . . 10.71 110.067 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 55.6 pttt -114.52 -6.48 12.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.264 -0.88 . . . . 12.21 111.608 -176.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.37 -30.56 70.61 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.776 0.322 . . . . 8.99 111.806 -172.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -42.9 52.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.397 -0.365 . . . . 10.56 110.753 -176.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.86 -31.17 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.878 -0.329 . . . . 7.9 111.015 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 84' ' ' LYS . 75.7 mt -69.25 -53.4 20.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.381 -0.372 . . . . 8.66 110.608 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.7 -30.17 67.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.127 0.489 . . . . 7.41 110.409 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.72 -54.16 31.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.618 -0.719 . . . . 8.34 111.165 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -78.37 -36.81 45.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.202 -0.453 . . . . 7.39 110.935 -171.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 57.6 ttp -61.47 -35.21 76.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.671 -0.695 . . . . 10.32 111.18 -174.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 m -83.66 -23.02 31.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.199 -0.455 . . . . 9.14 111.014 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -85.97 -46.12 10.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.993 -0.549 . . . . 9.08 111.647 -176.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 91' ' ' ALA . 68.0 t -61.66 -21.86 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.525 -0.307 . . . . 10.49 111.23 -176.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.2 m -53.95 -62.54 1.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.186 0.517 . . . . 11.8 111.21 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.581 ' O ' HG13 ' A' ' 101' ' ' ILE . 19.8 p-10 -144.89 69.7 14.69 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.851 -0.613 . . . . 11.34 110.348 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.1 -23.64 33.58 Favored 'Trans proline' 0 CA--C 1.518 -0.305 0 C-N-CA 122.276 1.984 . . . . 12.7 112.621 -172.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.63 -21.44 35.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.242 0.544 . . . . 11.25 109.836 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.3 m -86.19 -41.68 14.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.56 -0.745 . . . . 10.63 110.316 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 97' ' ' ASN . 44.6 mt -56.02 -43.76 76.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 121.302 0.572 . . . . 12.53 110.096 176.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 51.7 ttm -55.81 -43.86 77.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.978 -1.01 . . . . 13.25 112.123 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 38.2 pt -86.95 -28.45 5.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.124 0.416 . . . . 11.41 112.124 -172.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -87.87 -15.84 35.62 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.861 -0.336 . . . . 11.93 110.845 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -43.44 -57.41 3.09 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.935 0.772 . . . . 14.37 112.769 -172.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.94 -42.14 79.21 Favored Glycine 0 C--O 1.228 -0.254 0 C-N-CA 121.315 -0.469 . . . . 12.03 113.4 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -86.74 -39.2 16.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 12.33 111.849 -177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -77.15 -20.23 55.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.287 -0.415 . . . . 14.51 111.574 -172.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -63.86 -17.04 62.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.485 -0.325 . . . . 15.12 110.953 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -54.83 111.75 0.89 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.063 -0.517 . . . . 13.93 110.85 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.454 ' HG2' ' HG2' ' A' ' 112' ' ' ARG . 31.2 tt0 70.82 -75.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 124.026 0.829 . . . . 14.01 110.955 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.454 ' HG2' ' HG2' ' A' ' 111' ' ' GLN . 10.4 ptt180 175.51 -173.92 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.603 -0.517 . . . . 14.43 109.603 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.457 ' H ' ' HD3' ' A' ' 113' ' ' LYS . 0.3 OUTLIER -74.54 15.05 0.39 Allowed 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.491 0.552 . . . . 12.41 112.491 -175.067 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.4 p -85.89 -15.09 42.85 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.142 0.496 . . . . 10.8 110.294 173.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.2 p -82.67 2.56 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 115.797 -0.638 . . . . 11.44 110.81 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.53 ' HB2' ' HA ' ' A' ' 122' ' ' LYS . 23.8 pttm -63.11 129.34 39.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.12 0.486 . . . . 10.72 110.944 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 125' ' ' HIS . 3.1 t -69.49 99.33 1.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.806 -0.634 . . . . 8.16 109.615 177.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -75.78 65.9 1.98 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.867 0.841 . . . . 7.76 110.111 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.632 ' OD1' ' HA ' ' A' ' 134' ' ' ARG . 9.9 t30 -175.58 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.175 -1.375 . . . . 8.9 109.442 176.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 96.6 m -86.39 -23.73 26.02 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.836 -0.431 . . . . 9.54 109.836 172.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 135.41 -61.49 0.62 Allowed Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.791 -0.719 . . . . 9.05 112.886 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.53 ' HA ' ' HB2' ' A' ' 116' ' ' LYS . 23.3 pttm -174.35 29.36 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.902 0.382 . . . . 12.7 111.688 -172.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -88.86 163.99 15.4 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.563 -0.532 . . . . 12.54 109.563 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.97 47.65 3.38 Favored Glycine 0 CA--C 1.516 0.116 0 C-N-CA 121.111 -0.566 . . . . 11.83 112.542 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.627 ' HB2' ' SG ' ' A' ' 117' ' ' CYS . 17.0 m170 -105.53 -162.22 0.86 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.382 0.61 . . . . 11.94 110.093 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.473 ' N ' HD13 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -137.55 115.62 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 107.912 -1.144 . . . . 12.22 107.912 170.101 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.76 -19.4 27.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.051 0.389 . . . . 9.79 112.051 -172.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -74.12 -42.79 59.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 13.15 111.61 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -107.42 -21.44 12.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.478 -0.328 . . . . 14.48 111.332 -173.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.9 124.06 17.94 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.254 -0.43 . . . . 11.41 111.162 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -77.97 99.76 6.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.683 0.754 . . . . 17.31 110.359 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -166.67 139.13 2.99 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.285 -0.87 . . . . 11.89 108.874 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -45.59 105.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.215 2.61 . . . . 13.32 112.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.632 ' HA ' ' OD1' ' A' ' 119' ' ' ASN . 41.9 ttm180 -77.45 120.8 22.95 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.592 -0.731 . . . . 12.3 110.775 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -66.36 157.81 30.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.028 -0.987 . . . . 10.11 111.093 -177.59 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 136' ' ' LYS . 2.8 mptp? -104.68 75.89 1.24 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.338 -0.847 . . . . 11.69 109.095 -178.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 111.7 -111.5 2.91 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.214 -0.903 . . . . 9.53 112.965 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.698 ' SG ' ' HB2' ' A' ' 146' ' ' HIS . 74.5 m -81.34 152.46 27.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.557 0.678 . . . . 12.01 111.529 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -112.91 -24.58 9.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.589 -0.732 . . . . 11.32 110.963 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -95.04 -55.06 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.137 -0.483 . . . . 16.11 110.756 -174.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -9.89 59.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.967 -0.56 . . . . 13.97 111.177 -177.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 148.26 -109.57 0.46 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.385 -0.912 . . . . 12.26 112.191 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 138' ' ' CYS . 16.1 pttp -155.37 -71.76 0.12 Allowed 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 123.695 0.291 . . . . 15.88 111.452 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.21 0.35 40.24 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.727 -0.389 . . . . 14.2 111.725 -173.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -58.33 -37.88 88.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.667 -0.778 . . . . 13.35 111.168 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.698 ' HB2' ' SG ' ' A' ' 138' ' ' CYS . 10.8 m80 -130.01 157.1 43.27 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.207 -1.034 . . . . 14.96 108.207 174.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.41 ' HA ' ' OE1' ' A' ' 147' ' ' GLN . 16.6 mm-40 -85.7 15.38 4.76 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 121.183 -0.207 . . . . 15.24 110.908 177.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 1.4 tmt? 68.26 -54.71 0.52 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.965 0.906 . . . . 13.85 111.6 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -60.35 -42.28 95.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.271 0.557 . . . . 16.38 110.635 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -91.86 18.96 7.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.606 -0.724 . . . . 17.63 111.08 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 45.6 t -95.34 107.06 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.758 -0.46 . . . . 15.97 109.758 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 31.3 m -104.86 115.24 29.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.018 -0.537 . . . . 18.95 110.408 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -91.67 108.23 19.76 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.437 -0.579 . . . . 19.35 109.437 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -151.36 133.89 15.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.456 -0.338 . . . . 23.48 110.59 -175.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -87.86 38.31 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.969 0.414 . . . . 22.51 111.086 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -96.63 -0.54 48.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.325 0.583 . . . . 23.3 110.393 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 17.9 m120 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.512 -0.756 . . . . 24.3 109.589 179.148 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.453 ' HG3' ' H ' ' A' ' 2' ' ' TYR . 17.4 ptt? . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.352 0.12 . . . . 20.97 111.062 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.453 ' H ' ' HG3' ' A' ' 1' ' ' MET . 42.9 p90 -171.62 146.91 2.24 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.896 -0.409 . . . . 22.1 109.896 177.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m -130.64 86.86 51.53 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.326 -0.397 . . . . 17.23 110.585 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.503 ' O ' HG12 ' A' ' 7' ' ' ILE . 66.5 Cg_endo -96.04 171.22 1.13 Allowed 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.304 2.67 . . . . 15.76 112.074 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 m -81.67 -14.3 56.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.569 0.699 . . . . 15.79 109.964 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -61.51 -17.1 53.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.368 -0.833 . . . . 13.32 112.059 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 4' ' ' PRO . 23.7 pt -78.72 -14.04 13.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.137 0.494 . . . . 12.15 110.612 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp -83.12 -18.18 40.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.296 0.569 . . . . 13.09 109.49 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -103.43 26.29 8.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.543 -0.753 . . . . 12.54 110.528 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.434 ' H ' HG12 ' A' ' 10' ' ' ILE . 6.1 pt -71.15 63.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.827 -0.624 . . . . 8.74 112.491 -176.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 12.0 ptp180 -133.05 172.75 12.22 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.273 -0.639 . . . . 13.19 109.273 174.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -122.75 143.24 49.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.168 0.509 . . . . 8.1 111.595 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.25 169.3 18.53 Favored Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.862 -0.895 . . . . 9.01 110.862 170.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.52 -34.78 84.8 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.409 2.073 . . . . 10.91 112.512 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -94.42 3.65 54.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.388 -0.369 . . . . 13.55 111.267 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -82.29 128.53 67.09 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.79 0.328 . . . . 9.91 110.779 -175.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.94 112.07 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.416 2.077 . . . . 9.95 110.452 170.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -51.96 -35.58 46.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.509 -0.769 . . . . 6.75 111.25 -176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 72.1 ttt180 -71.08 -18.89 62.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.303 -0.408 . . . . 13.72 111.871 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -86.81 -59.61 2.22 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.301 -0.559 . . . . 11.24 111.79 -172.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.536 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 6.2 m-85 -75.59 -24.66 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.475 -0.49 . . . . 7.3 111.896 -175.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.7 t -79.57 -25.46 12.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.132 0.491 . . . . 6.77 109.868 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 20.9 t70 -61.79 -36.54 81.39 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.97 -0.752 . . . . 11.68 108.97 171.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.536 ' HD2' ' HA ' ' A' ' 21' ' ' TYR . 31.6 mtt180 -70.24 -35.47 73.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.173 -0.921 . . . . 11.36 109.679 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.499 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 66.4 t80 -61.67 -34.3 75.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.208 -0.905 . . . . 7.02 110.046 177.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -81.59 -36.67 28.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.795 -0.639 . . . . 11.44 109.911 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 41.9 mmtm -60.51 -43.56 96.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.79 -0.641 . . . . 13.47 111.533 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 12.9 t -68.22 -27.59 66.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.929 0.395 . . . . 9.35 110.561 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 85.8 mt -74.42 -24.82 59.15 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.913 0.387 . . . . 9.09 110.043 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -71.62 -34.47 69.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.839 -0.619 . . . . 14.19 110.572 175.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.62 -57.62 6.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.182 -0.463 . . . . 11.93 110.511 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.0 pt-20 -89.86 43.81 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.179 0.514 . . . . 10.89 110.651 176.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -63.17 -13.64 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.995 -0.548 . . . . 11.52 112.062 -175.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.4 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.085 0.469 . . . . 11.97 110.63 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 15.4 m -82.73 54.24 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.102 -0.499 . . . . 12.02 111.374 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -67.62 -33.6 75.31 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.249 0.547 . . . . 12.14 110.435 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -55.83 -33.5 64.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.054 -0.975 . . . . 14.44 111.204 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.1 t -81.8 -38.22 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.185 -0.461 . . . . 11.61 110.075 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 35' ' ' SER . 97.1 mttt -53.97 -42.24 68.73 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.474 -0.785 . . . . 9.78 111.624 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -43.42 -56.05 3.81 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.765 0.666 . . . . 11.43 112.096 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.1 -44.6 14.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.224 -0.444 . . . . 11.43 110.529 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.72 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -60.37 -53.92 51.78 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.787 -0.642 . . . . 9.19 112.261 -173.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.6 t -58.28 -31.31 67.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.911 0.386 . . . . 7.35 111.507 -170.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -84.01 -44.48 14.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.377 -0.374 . . . . 11.69 111.384 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.453 ' O ' HG12 ' A' ' 48' ' ' VAL . 9.9 t -84.11 -27.13 28.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.11 0.481 . . . . 11.34 110.573 -174.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.72 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -72.41 -51.23 21.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.063 -0.517 . . . . 8.22 110.779 178.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.5 tp -67.48 -26.29 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.763 0.316 . . . . 5.99 110.246 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 45' ' ' THR . 1.6 p -81.82 -30.68 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 8.67 110.735 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -81.75 -47.05 13.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.209 0.528 . . . . 12.22 110.646 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 7.3 m-20 -70.28 -15.69 62.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.528 -0.76 . . . . 8.3 112.25 -176.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.27 151.78 41.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.03 0.443 . . . . 8.36 110.012 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -69.0 135.39 89.6 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.804 -0.634 . . . . 9.4 109.468 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.426 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 3.6 Cg_exo -38.88 -50.32 2.57 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.93 3.087 . . . . 11.66 113.327 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.59 -46.65 89.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.838 -0.619 . . . . 10.64 112.276 -174.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.617 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 30.6 p -75.66 -41.02 55.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.077 -0.51 . . . . 8.04 111.709 -170.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' ' 53' ' ' PRO . 3.6 pttp -72.61 -23.68 60.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.288 0.566 . . . . 10.04 109.93 178.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.53 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 20.3 m -68.71 -45.27 72.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.611 -0.722 . . . . 12.46 111.189 173.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 55' ' ' CYS . 2.8 pp -74.8 -24.14 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.263 0.468 . . . . 11.46 112.263 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 66.8 mt -56.03 -45.47 79.14 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.846 0.355 . . . . 11.84 111.637 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -70.11 -20.87 63.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.465 . . . . 14.91 111.536 -174.393 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.47 -34.45 23.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.967 0.413 . . . . 15.64 110.723 176.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 70.6 mt -81.84 -27.95 33.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.869 -0.605 . . . . 15.72 112.114 -177.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -32.87 -59.58 0.44 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 115.245 0.858 . . . . 16.17 115.245 -174.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -57.24 -53.49 4.75 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.71 2.274 . . . . 17.44 114.255 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.07 -9.7 56.86 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.504 -0.855 . . . . 15.83 113.469 -169.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.529 ' HB3' ' HB3' ' A' ' 62' ' ' LEU . . . -117.4 134.8 54.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.155 0.502 . . . . 14.15 111.178 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.1 p -87.45 -178.69 6.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.535 -0.757 . . . . 15.45 110.487 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -53.06 -45.51 68.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.47 -0.332 . . . . 12.22 111.194 -175.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -72.31 -27.62 62.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.882 0.372 . . . . 16.53 111.45 -173.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.429 ' HB2' ' HB1' ' A' ' 66' ' ' ALA . 14.7 mt-10 -81.09 -35.49 31.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.938 0.399 . . . . 15.56 110.565 -175.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.9 ptp -76.3 -28.08 56.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.569 -0.53 . . . . 10.3 109.569 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' A' ' 19' ' ' ARG . 58.0 ttp -68.25 -40.89 81.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.926 -0.579 . . . . 11.15 110.228 175.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.7 m -69.33 -29.13 66.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.698 -0.683 . . . . 12.02 110.487 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.81 62.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.532 -0.758 . . . . 9.32 111.773 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.407 ' SG ' HD11 ' A' ' 58' ' ' ILE . 74.7 m -86.23 -24.71 25.94 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.322 0.49 . . . . 7.31 112.322 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -80.01 114.95 19.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.382 0.61 . . . . 10.66 110.298 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.86 56.37 4.52 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.693 -0.765 . . . . 8.85 112.543 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 t -76.34 77.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.301 -0.629 . . . . 8.24 109.301 173.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.515 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 78.98 -0.82 77.31 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.692 -0.686 . . . . 10.49 111.901 -177.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.78 -131.96 11.5 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.503 -0.639 . . . . 10.42 111.503 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.511 ' HD2' ' CE1' ' A' ' 83' ' ' HIS . 21.7 Cg_exo -67.17 -151.94 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.425 0 C-N-CA 122.995 2.463 . . . . 12.1 112.161 174.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.64 61.99 2.8 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 121.074 -0.584 . . . . 11.07 112.829 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.511 ' CE1' ' HD2' ' A' ' 81' ' ' PRO . 30.5 m170 -93.05 -165.21 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.698 0.285 . . . . 10.71 110.596 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.59 ' O ' HG22 ' A' ' 87' ' ' VAL . 24.3 pttm -71.51 21.47 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.94 -0.573 . . . . 12.21 112.231 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.515 ' HB2' ' HA3' ' A' ' 79' ' ' GLY . . . -52.22 -20.0 2.36 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.427 0.691 . . . . 8.99 112.55 -174.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -59.96 -35.34 74.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.369 -0.378 . . . . 10.56 110.874 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 84' ' ' LYS . 5.4 m -74.94 -20.5 16.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.376 . . . . 7.9 110.056 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 82.2 mt -78.03 -41.3 36.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 8.66 109.534 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.5 -29.27 69.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.415 0.626 . . . . 7.41 109.734 174.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -70.47 -39.19 74.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.404 -0.816 . . . . 8.34 110.298 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.69 -20.48 58.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 7.39 110.112 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.578 ' HA ' HG22 ' A' ' 95' ' ' VAL . 16.3 tpt -49.12 -36.98 20.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.12 -0.945 . . . . 10.32 111.63 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.1 t -68.28 -27.89 66.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.303 -0.408 . . . . 9.14 110.812 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -87.11 -46.08 10.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.882 0.373 . . . . 9.08 111.129 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 92' ' ' MET . 33.0 m -67.5 -20.15 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 112.141 0.422 . . . . 10.49 112.141 -174.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -20.1 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.237 0.542 . . . . 11.8 110.839 175.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -123.79 72.41 52.47 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 108.125 -1.065 . . . . 11.34 108.125 173.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.27 -5.29 13.5 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.641 2.227 . . . . 12.7 113.209 -168.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.83 -31.37 63.18 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.908 -0.587 . . . . 11.25 110.879 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.0 p -90.55 -65.15 1.04 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.497 0.665 . . . . 10.63 111.555 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.8 mm -85.78 -53.21 10.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.076 -0.965 . . . . 12.53 112.132 -170.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.9 ttt -62.38 -33.21 74.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.459 -0.791 . . . . 13.25 112.08 -167.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.4 tt -88.15 -34.05 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.074 -0.65 . . . . 11.41 110.855 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -69.76 -51.48 33.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 11.93 110.159 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -65.92 -21.06 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 14.37 110.865 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.42 -62.78 2.36 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.515 -0.85 . . . . 12.03 111.969 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.71 -41.62 71.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.197 0.443 . . . . 12.33 112.197 -173.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -65.7 -36.63 84.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.325 . . . . 14.51 111.106 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -80.1 -51.47 8.97 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.913 -0.315 . . . . 15.12 110.424 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -174.86 -75.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 13.93 110.947 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -177.85 147.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.456 -0.942 . . . . 14.01 108.456 177.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -60.12 -48.31 82.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 118.414 0.552 . . . . 14.43 110.764 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -82.05 15.73 2.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 12.41 112.359 -175.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 4.1 t -74.1 -14.48 60.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.139 0.495 . . . . 10.8 110.194 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.464 ' O ' ' HA2' ' A' ' 124' ' ' GLY . 9.6 t -84.13 1.11 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.542 -0.754 . . . . 11.44 110.333 -178.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -108.09 135.46 49.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.997 0.427 . . . . 10.72 110.114 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.72 ' SG ' ' HB2' ' A' ' 125' ' ' HIS . 80.0 m -75.93 100.34 4.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.943 -0.571 . . . . 8.16 111.072 175.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -78.39 64.99 3.6 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.217 0.532 . . . . 7.76 109.568 171.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.554 ' HB3' ' HA ' ' A' ' 134' ' ' ARG . 27.5 p-10 -177.54 -43.42 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 114.81 -1.086 . . . . 8.9 111.171 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.45 5.81 50.07 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.023 0.44 . . . . 9.54 110.797 -177.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.85 52.7 0.64 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.583 -0.818 . . . . 9.05 113.492 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt 44.71 39.05 3.14 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.826 0.85 . . . . 12.7 111.844 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -93.24 155.67 17.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.07 -0.514 . . . . 12.54 110.011 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 115' ' ' VAL . . . -79.73 46.71 3.15 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 114.588 0.595 . . . . 11.83 114.588 -171.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.72 ' HB2' ' SG ' ' A' ' 117' ' ' CYS . 19.4 m80 -108.25 -140.47 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.032 -0.729 . . . . 11.94 109.032 173.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -129.94 130.23 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 108.544 -0.91 . . . . 12.22 108.544 168.414 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.34 -20.01 57.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.912 -0.586 . . . . 9.79 112.222 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -83.68 -5.16 59.12 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.894 0.331 . . . . 13.15 111.894 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -107.31 -24.42 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.755 -0.378 . . . . 14.48 111.101 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 98.2 m -91.16 130.93 36.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.446 -0.343 . . . . 11.41 110.675 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -78.87 98.67 6.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.885 0.85 . . . . 17.31 110.826 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -167.25 151.17 6.33 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 114.675 -1.148 . . . . 11.89 108.601 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.31 86.42 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.881 2.387 . . . . 13.32 112.279 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.554 ' HA ' ' HB3' ' A' ' 119' ' ' ASN . 7.7 ptt180 -76.35 154.65 34.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.864 -0.607 . . . . 12.3 111.446 -176.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.653 ' HG3' ' SD ' ' A' ' 148' ' ' MET . 0.1 OUTLIER 66.6 -87.23 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 114.937 -1.028 . . . . 10.11 108.299 -171.68 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.3 tptp 47.68 33.58 3.16 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.857 0.723 . . . . 11.69 112.586 170.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 90.59 -122.13 6.52 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.282 -0.961 . . . . 9.53 112.56 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 85.8 m -112.32 108.46 17.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.019 0.378 . . . . 12.01 112.019 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.401 ' CZ2' ' HA ' ' A' ' 119' ' ' ASN . 74.7 m95 -82.06 -13.5 57.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.013 0.435 . . . . 11.32 110.576 169.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -95.38 -55.1 3.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.083 -0.508 . . . . 16.11 110.967 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 60.1 m -69.4 -18.4 63.76 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.788 0.328 . . . . 13.97 110.702 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.13 5.07 75.05 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 120.93 -0.652 . . . . 12.26 112.678 -178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -109.0 -174.08 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.058 0.456 . . . . 15.88 110.691 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -110.78 29.31 7.87 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.607 -0.724 . . . . 14.2 110.326 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -89.01 -81.4 1.3 Allowed Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.866 -0.683 . . . . 13.35 113.58 -172.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -63.31 143.27 57.95 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 110.121 -0.326 . . . . 14.96 110.121 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -86.23 48.1 1.56 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.98 0.419 . . . . 15.24 111.094 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.653 ' SD ' ' HG3' ' A' ' 135' ' ' LYS . 25.7 ttt 68.03 -54.96 0.51 Allowed 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.085 -0.961 . . . . 13.85 112.587 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -69.57 -38.67 77.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.125 0.488 . . . . 16.38 110.668 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -74.02 -10.75 59.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.724 -0.671 . . . . 17.63 110.462 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 4.9 t -78.14 83.06 4.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.998 -0.741 . . . . 15.97 108.998 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 1.9 p -107.27 152.36 24.23 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.776 -0.647 . . . . 18.95 111.39 -175.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -111.93 124.82 53.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.875 -0.602 . . . . 19.35 109.765 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 67.49 149.93 0.06 Allowed 'General case' 0 C--O 1.236 0.389 0 O-C-N 123.801 0.688 . . . . 23.48 111.899 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 72.38 -64.91 0.38 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.318 -0.856 . . . . 22.51 111.717 176.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -93.11 99.25 11.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.47 -0.332 . . . . 23.3 110.953 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.449 -0.786 . . . . 24.3 110.184 179.833 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.617 -0.512 . . . . 20.97 109.617 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.4 t80 60.82 31.68 20.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 122.086 0.946 . . . . 22.1 108.721 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 p -145.98 153.84 50.09 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 114.855 -1.066 . . . . 17.23 109.558 -174.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -75.24 39.24 0.59 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.507 2.138 . . . . 15.76 112.14 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.421 ' HA ' HD11 ' A' ' 8' ' ' LEU . 20.8 m -89.26 -25.7 21.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.659 0.742 . . . . 15.79 110.17 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.698 ' O ' HG23 ' A' ' 10' ' ' ILE . 10.3 m -65.03 -21.32 66.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.464 -0.789 . . . . 13.32 111.366 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.492 ' O ' HG12 ' A' ' 10' ' ' ILE . 42.8 pt -82.91 -30.06 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 112.287 0.477 . . . . 12.15 112.287 -169.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.777 HD13 ' H ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -85.91 -18.43 32.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.619 0.723 . . . . 13.09 109.781 174.718 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.497 ' N ' HD22 ' A' ' 8' ' ' LEU . 29.2 t70 -76.0 -23.62 55.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.493 -1.231 . . . . 12.54 111.446 -177.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.698 HG23 ' O ' ' A' ' 6' ' ' SER . 11.5 pt -76.79 55.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.796 0.808 . . . . 8.74 112.392 -173.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -127.57 157.68 39.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.63 -0.714 . . . . 13.19 109.282 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.47 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 40.7 tt0 -108.45 142.69 38.45 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.455 -0.339 . . . . 8.1 111.011 -172.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.83 159.61 34.63 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.235 -0.746 . . . . 9.01 111.235 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -42.64 -49.37 6.58 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.667 2.911 . . . . 10.91 114.216 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 14.35 18.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.356 . . . . 13.55 111.717 -174.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.77 131.52 92.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 9.91 110.973 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -58.47 119.13 6.18 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.481 2.12 . . . . 9.95 110.828 173.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.715 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 44.3 t80 -53.59 -30.41 42.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.517 -0.765 . . . . 6.75 111.429 -177.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -58.78 -34.56 71.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 13.72 111.09 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 29.4 t70 -85.73 -34.35 21.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.057 0.456 . . . . 11.24 110.491 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.485 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 11.1 t80 -57.37 -35.08 69.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.686 0.755 . . . . 7.3 109.889 171.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 18' ' ' PHE . 47.8 t -72.38 -38.75 61.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.056 -0.975 . . . . 6.77 110.392 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 10.9 t70 -52.14 -47.15 65.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.54 -0.754 . . . . 11.68 111.819 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HG3' ' HA ' ' A' ' 10' ' ' ILE . 4.6 ptm180 -72.92 -39.74 66.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 11.36 110.011 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.692 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 51.8 t80 -64.18 -27.82 69.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.446 -0.797 . . . . 7.02 110.984 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -79.47 -39.77 31.38 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.4 0.619 . . . . 11.44 109.798 -176.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 9.7 mtmp? -64.38 -29.12 70.19 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.463 -0.79 . . . . 13.47 112.349 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.55 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 14.8 t -77.74 -30.78 51.77 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.269 -0.573 . . . . 9.35 110.25 176.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 81.1 mt -70.43 -32.18 69.66 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.457 -0.338 . . . . 9.09 111.109 -177.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 23.5 ptt180 -70.49 -22.46 62.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.405 0.621 . . . . 14.19 110.278 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -56.21 4.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.352 -0.84 . . . . 11.93 110.544 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.3 pt-20 -86.65 52.01 2.39 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.667 0.746 . . . . 10.89 111.153 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -64.17 -17.56 63.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.552 -0.749 . . . . 11.52 111.849 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.39 -38.84 29.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.841 0.353 . . . . 11.97 111.091 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m -81.89 69.23 8.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.984 -0.553 . . . . 12.02 111.103 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -71.36 -43.47 66.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.951 -0.568 . . . . 12.14 111.091 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -68.39 -28.46 67.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.282 0.563 . . . . 14.44 110.675 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -71.45 -45.52 68.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.609 -0.723 . . . . 11.61 110.675 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -74.57 -23.61 58.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.167 0.508 . . . . 9.78 110.535 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -67.81 -30.15 69.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.602 -0.726 . . . . 11.43 109.243 175.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.99 -37.66 21.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.336 -0.847 . . . . 11.43 110.02 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.531 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -59.13 -36.84 75.91 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.163 -0.926 . . . . 9.19 111.872 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 47' ' ' LEU . 17.8 p -60.26 -43.02 96.5 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.978 0.418 . . . . 7.35 111.439 -178.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -85.75 -44.06 12.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.525 0.565 . . . . 11.69 112.525 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.0 m -83.87 -45.28 13.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.159 0.504 . . . . 11.34 111.507 -175.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.531 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 2.1 tm? -87.76 -51.44 5.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.841 -0.618 . . . . 8.22 111.262 -171.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.528 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.5 tm? -67.36 -25.87 66.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.716 0.769 . . . . 5.99 109.891 -172.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 55.5 t -81.31 -48.47 18.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.875 -0.602 . . . . 8.67 110.938 176.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -71.65 -32.5 67.99 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.175 0.435 . . . . 12.22 112.175 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 1.4 m-20 -81.44 2.1 30.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.209 0.818 . . . . 8.3 113.209 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.064 ' HB3' ' HD3' ' A' ' 56' ' ' LYS . . . -105.71 -179.93 4.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 118.916 -1.114 . . . . 8.36 111.008 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.512 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 39.1 t30 -62.64 121.17 65.97 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.71 -0.677 . . . . 9.4 110.092 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -38.39 -52.82 1.88 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.394 2.729 . . . . 11.66 112.881 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.81 -46.92 71.25 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.879 0.737 . . . . 10.64 112.029 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.554 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 65.5 m -60.34 -41.33 93.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.447 -0.797 . . . . 8.04 111.186 -176.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 1.064 ' HD3' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.23 -22.99 41.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.456 0.646 . . . . 10.04 111.705 176.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.597 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 55.2 m -66.68 -45.89 77.41 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.952 -1.022 . . . . 12.46 111.261 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 42.1 pt -68.4 -30.16 46.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 111.622 0.23 . . . . 11.46 111.622 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 46.2 mt -53.29 -43.43 67.51 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.351 0.5 . . . . 11.84 112.351 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 57' ' ' THR . 13.1 pttp -71.31 -20.41 62.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.865 0.364 . . . . 14.91 110.919 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.35 -12.6 59.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 15.64 110.617 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 66' ' ' ALA . 42.2 mt -76.67 -15.38 59.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.003 0.43 . . . . 15.72 110.205 175.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.22 -87.79 0.32 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.859 -0.686 . . . . 16.17 112.513 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -80.81 1.97 8.91 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.848 2.365 . . . . 17.44 112.904 -173.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.461 ' HA2' ' HA ' ' A' ' 60' ' ' LYS . . . 93.84 9.93 59.32 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.579 -0.819 . . . . 15.83 111.856 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.452 ' HB2' HD12 ' A' ' 62' ' ' LEU . . . 68.8 117.03 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.418 0.628 . . . . 14.15 111.34 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 p -73.45 -84.04 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.673 -0.694 . . . . 15.45 112.291 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -132.13 -59.29 0.94 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.926 -0.31 . . . . 12.22 110.197 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.9 -28.19 60.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.222 0.534 . . . . 16.53 110.236 -175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.47 -50.32 65.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.155 -0.929 . . . . 15.56 110.121 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.2 ptp -69.62 -29.84 67.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 10.3 110.519 -178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.715 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 44.2 ttm -69.28 -48.48 61.55 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.012 -0.54 . . . . 11.15 110.082 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -67.76 -46.89 70.77 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.162 -0.926 . . . . 12.02 111.18 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.61 83.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.735 -0.666 . . . . 9.32 112.523 -174.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 71.4 m -88.4 11.81 15.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.21 0.448 . . . . 7.31 112.21 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' A' ' 72' ' ' MET . 79.2 mt-30 -99.83 115.71 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.954 0.407 . . . . 10.66 110.517 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.52 -1.83 39.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 8.85 112.697 177.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.4 t -67.35 106.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.906 0.384 . . . . 8.24 110.564 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.4 20.12 78.95 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.834 -0.698 . . . . 10.49 111.825 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -84.13 -147.88 8.49 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.08 -0.581 . . . . 10.42 112.582 -176.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.55 19.3 1.36 Allowed 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 123.023 2.482 . . . . 12.1 112.99 -176.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.6 65.34 1.35 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.612 -0.804 . . . . 11.07 112.186 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -80.63 76.07 7.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.082 0.467 . . . . 10.71 109.918 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.634 ' O ' HG12 ' A' ' 87' ' ' VAL . 40.2 ttmt -114.91 -67.42 1.0 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.156 0.503 . . . . 12.21 111.26 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.53 ' O ' ' HG ' ' A' ' 88' ' ' LEU . . . -64.66 -30.62 71.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 8.99 111.508 -174.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -62.39 -31.57 72.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.301 -0.408 . . . . 10.56 111.977 -176.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 84' ' ' LYS . 11.9 p -80.6 -29.76 12.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.541 -0.464 . . . . 7.9 110.619 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 85' ' ' ALA . 4.0 pp -86.19 -38.04 18.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.235 -0.439 . . . . 8.66 110.341 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.71 71.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.866 -0.607 . . . . 7.41 110.292 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 39.6 tt0 -59.89 -43.05 94.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.582 -0.735 . . . . 8.34 110.664 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.89 -27.06 36.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.171 0.51 . . . . 7.39 110.251 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 52.9 ttm -61.34 -41.52 97.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.435 -0.802 . . . . 10.32 110.644 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 p -74.3 -25.38 59.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.331 -0.395 . . . . 9.14 111.082 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 98.7 mt-30 -74.86 -29.68 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.711 0.291 . . . . 9.08 111.687 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.0 -29.77 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.885 -0.326 . . . . 10.49 111.231 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.6 m -83.58 -47.6 11.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.108 0.48 . . . . 11.8 110.709 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -93.3 141.46 24.0 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.708 -0.678 . . . . 11.34 109.735 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.449 ' O ' ' HG3' ' A' ' 102' ' ' MET . 61.1 Cg_endo -73.99 36.24 0.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.871 2.381 . . . . 12.7 112.711 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.29 -27.24 68.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.176 0.512 . . . . 11.25 110.39 -178.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.4 p -79.25 -34.79 42.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.442 -0.799 . . . . 10.63 110.386 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.06 -31.94 49.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.574 0.702 . . . . 12.53 109.588 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 98' ' ' PRO . 66.1 mtt -60.28 -17.55 43.09 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.058 -0.974 . . . . 13.25 111.213 175.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 48.6 mm -75.33 -45.67 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.591 -0.277 . . . . 11.41 110.673 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -76.54 -29.43 56.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 11.93 110.369 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -76.06 -16.06 60.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 14.37 111.058 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.25 -26.49 43.62 Favored Glycine 0 C--O 1.226 -0.371 0 CA-C-N 115.58 -0.736 . . . . 12.03 113.777 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -69.6 -23.84 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.409 0.604 . . . . 12.33 111.233 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -80.19 -48.87 12.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.956 0.408 . . . . 14.51 110.905 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -80.04 -31.69 39.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.067 -0.515 . . . . 15.12 110.97 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 61.95 -80.93 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.83 0.852 . . . . 13.93 111.678 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -133.08 60.45 1.7 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.066 0.46 . . . . 14.01 109.995 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.461 ' HG2' ' H ' ' A' ' 114' ' ' THR . 43.1 ttm180 -58.92 132.04 52.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.651 -0.704 . . . . 14.43 110.583 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -63.8 -32.72 74.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.508 -0.769 . . . . 12.41 110.71 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.461 ' H ' ' HG2' ' A' ' 112' ' ' ARG . 1.4 m -59.89 -22.31 62.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.802 -0.636 . . . . 10.8 112.138 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.69 -28.2 40.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 120.902 0.382 . . . . 11.44 110.457 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 123' ' ' GLU . 4.0 mppt? -85.69 138.41 32.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.058 -0.519 . . . . 10.72 109.664 177.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 125' ' ' HIS . 0.1 OUTLIER -76.66 100.33 5.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.189 -0.459 . . . . 8.16 111.579 -175.438 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -85.88 65.97 9.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.381 -0.372 . . . . 7.76 111.134 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -168.72 -46.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.874 -0.603 . . . . 8.9 110.819 174.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 29.4 p -91.54 -16.15 27.63 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.041 0.448 . . . . 9.54 110.505 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 120.28 65.24 0.27 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.493 -0.861 . . . . 9.05 113.235 174.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 123' ' ' GLU . 37.6 mtmm 67.77 -156.63 0.21 Allowed 'General case' 0 C--O 1.236 0.345 0 C-N-CA 122.715 0.406 . . . . 12.7 111.088 172.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 0.6 OUTLIER 70.12 161.57 0.22 Allowed 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 123.894 0.746 . . . . 12.54 111.611 -175.179 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -78.61 47.56 3.04 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.657 -0.701 . . . . 11.83 112.988 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.559 ' HB3' ' SG ' ' A' ' 117' ' ' CYS . 16.2 t-160 -96.35 168.49 10.54 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.39 -0.967 . . . . 11.94 108.39 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.445 ' H ' ' CD2' ' A' ' 125' ' ' HIS . 17.5 pt -111.69 113.17 43.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.149 0.499 . . . . 12.22 110.591 -178.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.5 ' HA ' ' HB3' ' A' ' 130' ' ' CYS . . . -63.32 -19.68 64.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.626 -0.716 . . . . 9.79 111.322 -176.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -77.23 -18.63 57.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.57 -0.741 . . . . 13.15 111.377 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -121.53 29.76 7.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.365 -0.976 . . . . 14.48 108.365 174.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.5 ' HB3' ' HA ' ' A' ' 127' ' ' ALA . 34.3 t -124.02 116.36 22.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.121 -0.945 . . . . 11.41 110.536 -173.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -95.69 105.61 17.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.53 0.681 . . . . 17.31 110.397 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -154.68 113.43 2.39 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.392 -0.822 . . . . 11.89 109.525 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -51.83 85.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.983 3.122 . . . . 13.32 113.403 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 135' ' ' LYS . 8.4 tpt180 175.42 -56.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.126 -0.943 . . . . 12.3 109.296 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 134' ' ' ARG . 72.8 mmtt 59.0 -170.33 0.13 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.457 -0.792 . . . . 10.11 111.068 -174.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.403 ' HD3' ' H ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -79.15 -78.92 0.14 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.65 -0.42 . . . . 11.69 110.305 -176.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.49 -127.07 41.17 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.272 -0.966 . . . . 9.53 111.5 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 146' ' ' HIS . 35.3 t -121.36 104.58 9.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.724 -0.473 . . . . 12.01 109.724 175.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -78.77 -4.21 48.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.988 0.423 . . . . 11.32 111.182 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -77.5 -54.3 6.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.173 0.511 . . . . 16.11 110.098 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 4.5 m -95.18 -17.83 21.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.464 -0.789 . . . . 13.97 110.35 -177.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 85.26 25.92 38.34 Favored Glycine 0 C--N 1.329 0.178 0 C-N-CA 120.87 -0.681 . . . . 12.26 112.864 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.496 ' HG2' ' H ' ' A' ' 145' ' ' GLY . 56.0 tttp -137.39 144.1 42.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.311 -0.626 . . . . 15.88 109.311 -177.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -84.26 2.72 38.76 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.225 0.536 . . . . 14.2 110.786 -176.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.496 ' H ' ' HG2' ' A' ' 143' ' ' LYS . . . -61.75 -36.36 92.61 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.817 -0.706 . . . . 13.35 111.696 176.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -109.83 143.86 39.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.818 -0.808 . . . . 14.96 108.818 178.086 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 150' ' ' ASP . 56.6 tp60 -85.87 138.69 31.86 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.604 -0.888 . . . . 15.24 108.604 169.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 44.3 ttm -41.04 -46.06 2.81 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.796 0.665 . . . . 13.85 112.796 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.38 -20.86 36.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.059 0.457 . . . . 16.38 111.506 -175.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' A' ' 147' ' ' GLN . 10.3 m-20 -112.2 16.44 20.09 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.714 -0.675 . . . . 17.63 112.07 -172.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 51.4 t -77.35 88.0 3.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.383 0.611 . . . . 15.97 110.489 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 12.0 m -131.94 103.87 6.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.451 -0.795 . . . . 18.95 109.239 174.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -113.48 121.27 43.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.282 -0.417 . . . . 19.35 110.75 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -137.24 -45.15 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.877 -0.601 . . . . 23.48 110.524 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -86.72 64.89 8.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.188 0.518 . . . . 22.51 110.656 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -121.43 66.2 0.88 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.747 -0.66 . . . . 23.3 110.505 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.634 -0.712 . . . . 24.3 110.271 -179.096 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 ttp . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 119.838 -0.125 . . . . 20.97 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 68.44 127.92 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.644 0.59 . . . . 22.1 110.876 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.486 ' HB2' ' HB2' ' A' ' 39' ' ' LYS . 19.9 m -138.93 148.4 57.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 122.204 -0.31 . . . . 17.23 111.117 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.565 ' CB ' ' HG3' ' A' ' 32' ' ' GLU . 42.5 Cg_endo -99.06 -166.92 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 124.084 3.189 . . . . 15.76 113.553 177.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.7 m -97.52 -26.21 14.89 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.109 -0.496 . . . . 15.79 112.181 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -63.17 -14.95 54.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.038 0.447 . . . . 13.32 112.052 -177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.567 ' O ' HD12 ' A' ' 10' ' ' ILE . 42.6 pt -70.65 -13.17 16.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.37 -0.377 . . . . 12.15 110.631 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp -78.68 -22.45 46.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.47 -0.332 . . . . 13.09 111.762 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -107.19 24.7 12.41 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.12 0.785 . . . . 12.54 113.12 -173.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.567 HD12 ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -91.66 146.6 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.767 -0.827 . . . . 8.74 108.767 171.353 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -140.78 161.8 36.94 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.359 -0.537 . . . . 13.19 111.251 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.443 ' HG3' ' HB3' ' A' ' 16' ' ' GLU . 64.6 tt0 -113.18 135.76 53.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.671 -0.695 . . . . 8.1 109.56 176.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.78 -150.52 24.8 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.07 -0.586 . . . . 9.01 112.448 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.55 -66.28 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.922 2.415 . . . . 10.91 112.9 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -108.2 13.71 25.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.073 -0.512 . . . . 13.55 110.832 -175.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' HB3' ' HG3' ' A' ' 12' ' ' GLN . 5.5 tp10 -51.78 118.98 12.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.606 -0.724 . . . . 9.91 110.846 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.61 123.87 14.75 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.294 1.996 . . . . 9.95 110.698 175.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -60.38 -28.87 68.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.277 -0.42 . . . . 6.75 110.523 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.72 -23.24 64.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.748 0.309 . . . . 13.72 110.725 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.31 -39.86 14.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.271 0.558 . . . . 11.24 109.549 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.466 ' CE1' HG12 ' A' ' 10' ' ' ILE . 45.3 t80 -55.55 -41.28 73.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.296 -0.866 . . . . 7.3 109.875 173.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.05 -35.26 28.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.115 -0.948 . . . . 6.77 110.282 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.83 -48.4 72.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.005 -0.543 . . . . 11.68 111.602 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -70.79 -34.98 72.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.295 0.569 . . . . 11.36 109.734 -176.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.539 ' CE1' ' HB ' ' A' ' 7' ' ' ILE . 71.0 t80 -65.28 -43.31 91.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.031 -0.986 . . . . 7.02 111.334 177.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -84.4 -27.99 27.23 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.997 -0.547 . . . . 11.44 110.857 -169.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -72.09 -33.46 67.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.081 -0.509 . . . . 13.47 110.827 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 4' ' ' PRO . 9.3 t -84.75 -27.16 27.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.73 -0.47 . . . . 9.35 109.73 175.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.506 HD12 ' CD ' ' A' ' 4' ' ' PRO . 55.3 tp -59.42 -37.84 79.08 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.556 -0.747 . . . . 9.09 110.789 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -82.82 -33.6 27.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 14.19 112.926 -173.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.17 -60.63 2.03 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 112.901 0.704 . . . . 11.93 112.901 -171.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.565 ' HG3' ' CB ' ' A' ' 4' ' ' PRO . 10.1 pt-20 -93.76 29.59 2.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.605 0.595 . . . . 10.89 112.605 -171.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.475 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 21.6 pt20 -71.49 70.62 0.64 Allowed 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.465 0.543 . . . . 11.52 112.465 -173.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.0 -65.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.742 0.645 . . . . 11.97 112.742 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.752 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 16.1 m -84.6 65.65 9.13 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.994 0.368 . . . . 12.02 111.994 -174.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.504 ' HG2' ' N ' ' A' ' 37' ' ' GLU . 4.8 pm0 -48.88 -46.67 42.97 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.598 0.962 . . . . 12.14 113.598 -172.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.504 ' N ' ' HG2' ' A' ' 36' ' ' GLN . 14.9 tt0 -49.7 -58.4 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.983 1.105 . . . . 14.44 113.983 -168.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.7 t -83.0 -23.82 8.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.224 0.535 . . . . 11.61 110.859 -174.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.752 ' HG2' ' O ' ' A' ' 35' ' ' SER . 70.6 mmtt -80.19 -35.63 36.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.951 -0.568 . . . . 9.78 110.63 -174.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.62 -36.07 64.11 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.932 0.396 . . . . 11.43 111.327 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.63 -29.79 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.118 0.485 . . . . 11.43 110.195 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.64 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -76.56 -34.86 58.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.663 -0.698 . . . . 9.19 110.849 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -48.11 -39.14 19.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.894 0.877 . . . . 7.35 112.291 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -83.62 -43.08 16.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.888 -0.596 . . . . 11.69 111.538 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 t -84.59 -22.26 30.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.068 -0.514 . . . . 11.34 111.43 -173.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.64 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -74.91 -38.33 61.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.537 -0.301 . . . . 8.22 110.807 -177.762 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.27 -43.9 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 5.99 111.464 177.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.603 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 18.8 m -82.39 -26.15 8.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.85 -0.34 . . . . 8.67 111.797 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.45 -58.0 9.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.338 -0.392 . . . . 12.22 111.56 -176.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -95.1 12.68 27.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.344 0.498 . . . . 8.3 112.344 -172.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . . . -77.47 171.23 15.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.961 0.41 . . . . 8.36 110.678 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.521 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 26.4 t-20 -65.84 134.33 95.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.857 -0.61 . . . . 9.4 109.418 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.478 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . 71.9 Cg_exo -37.91 -51.46 1.88 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.587 2.858 . . . . 11.66 113.783 -177.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.486 ' O ' ' HB ' ' A' ' 57' ' ' THR . 6.1 t70 -75.29 -39.05 60.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.081 0.467 . . . . 10.64 110.827 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.532 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 75.1 m -61.05 -45.31 95.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.434 -0.803 . . . . 8.04 111.627 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.603 ' HD2' ' O ' ' A' ' 48' ' ' VAL . 2.0 pttt -75.05 -23.87 58.16 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.144 -0.622 . . . . 10.04 110.465 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 21.4 m -62.57 -43.98 97.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.55 -0.75 . . . . 12.46 110.447 175.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.691 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 29.5 pt -83.97 -29.93 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 11.46 112.089 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 22.6 mt -44.31 -50.84 8.86 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.969 0.414 . . . . 11.84 111.983 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -78.16 -20.14 52.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.096 -0.502 . . . . 14.91 111.548 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.93 -40.72 27.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.455 -0.339 . . . . 15.64 110.872 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 2.2 pp -98.4 -6.63 30.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.543 -0.299 . . . . 15.72 111.35 -177.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.537 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -46.28 -49.94 13.92 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.466 -0.788 . . . . 16.17 114.441 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 63' ' ' GLY . 1.8 Cg_endo -43.82 -49.26 8.31 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.25 2.633 . . . . 17.44 113.616 177.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.01 -18.5 36.85 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.548 -0.834 . . . . 15.83 112.706 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.46 ' HB1' ' N ' ' A' ' 71' ' ' MET . . . -103.79 104.08 14.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.233 0.54 . . . . 14.15 110.592 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -68.1 -69.79 0.3 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.365 -0.834 . . . . 15.45 112.751 -172.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -137.2 -65.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.593 -0.443 . . . . 12.22 111.115 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.67 -23.72 45.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.373 0.606 . . . . 16.53 109.723 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -63.96 -48.62 75.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.105 -0.952 . . . . 15.56 110.15 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.46 ' N ' ' HB1' ' A' ' 66' ' ' ALA . 24.7 ptm -73.83 -25.56 60.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.952 -0.567 . . . . 10.3 110.612 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 47.1 ttm -70.68 -52.33 21.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.359 0.6 . . . . 11.15 110.178 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.8 m -62.4 -34.73 77.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.127 -0.942 . . . . 12.02 110.744 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.26 -20.28 66.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.956 -0.566 . . . . 9.32 111.909 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 60.6 m -117.16 10.59 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.603 0.594 . . . . 7.31 112.603 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -100.99 116.34 32.6 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.123 -0.631 . . . . 10.66 110.355 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.4 59.3 8.51 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.607 -0.724 . . . . 8.85 111.951 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t -85.0 18.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.494 0.664 . . . . 8.24 110.237 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.49 1.06 90.23 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 110.608 -0.997 . . . . 10.49 110.608 -173.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.464 ' N ' ' HD3' ' A' ' 81' ' ' PRO . . . 58.36 57.92 17.31 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.223 -0.488 . . . . 10.42 112.912 -178.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 80' ' ' GLY . 6.2 Cg_exo -78.59 -9.81 15.94 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.975 2.45 . . . . 12.1 111.9 -176.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.98 -10.8 71.28 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 110.938 -0.865 . . . . 11.07 110.938 173.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -99.07 74.19 1.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.089 -0.708 . . . . 10.71 109.089 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.711 ' O ' HG22 ' A' ' 87' ' ' VAL . 31.4 mmmt -114.96 -58.7 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.718 -0.674 . . . . 12.21 110.396 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.96 -30.8 64.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.812 -0.631 . . . . 8.99 110.962 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' A' ' 90' ' ' GLU . 14.3 mmt180 -67.68 -31.08 70.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.748 -0.66 . . . . 10.56 112.596 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 84' ' ' LYS . 5.6 m -74.5 -24.65 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.361 -0.536 . . . . 7.9 110.206 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.17 -45.65 10.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.662 -0.699 . . . . 8.66 110.381 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.28 -31.45 72.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.763 -0.653 . . . . 7.41 111.187 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.52 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 0.4 OUTLIER -79.78 -25.87 40.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.339 -0.391 . . . . 8.34 110.501 179.457 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.53 -26.59 37.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 7.39 110.014 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 25.3 ttt -62.54 -39.46 93.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.633 -0.712 . . . . 10.32 110.514 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 m -74.27 -20.21 60.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.033 -0.53 . . . . 9.14 110.758 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 85.4 mm-40 -84.7 -49.3 8.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.984 -0.553 . . . . 9.08 110.938 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.9 p -64.1 -24.05 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 10.49 111.322 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.1 p -84.2 -8.83 58.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.968 0.413 . . . . 11.8 111.064 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -126.18 76.97 72.16 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 109.47 -0.567 . . . . 11.34 109.47 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.53 -21.36 37.74 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.038 2.492 . . . . 12.7 112.646 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.97 -29.74 69.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.212 0.529 . . . . 11.25 110.021 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.529 ' O ' ' HB2' ' A' ' 104' ' ' GLN . 5.4 m -85.7 -23.9 27.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.65 -0.704 . . . . 10.63 109.898 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 37.1 mm -65.51 -51.55 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.519 . . . . 12.53 110.909 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -60.14 -33.59 72.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.694 -0.684 . . . . 13.25 111.762 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.3 pt -88.73 -15.95 8.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.906 0.384 . . . . 11.41 111.353 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.529 ' HB2' ' O ' ' A' ' 100' ' ' THR . 49.5 tt0 -64.89 -15.15 61.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.84 -0.618 . . . . 11.93 110.825 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -56.04 -20.92 18.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.098 -0.501 . . . . 14.37 110.844 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -57.18 -18.88 29.63 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.303 -0.862 . . . . 12.03 113.076 176.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -59.37 -20.36 54.19 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.698 0.249 . . . . 12.33 111.327 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -59.76 -41.75 91.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.105 0.479 . . . . 14.51 109.968 174.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -69.58 -43.73 72.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 15.12 109.613 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 64.8 t30 57.38 52.79 8.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.688 0.756 . . . . 13.93 110.702 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -109.3 -2.64 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.246 -0.888 . . . . 14.01 108.948 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -65.93 -14.31 61.33 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.217 -0.901 . . . . 14.43 110.953 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.482 ' HA ' ' HG3' ' A' ' 123' ' ' GLU . 20.4 ptmt -83.95 35.84 0.54 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.53 0.196 . . . . 12.41 111.53 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 34.6 m -49.76 -68.43 0.18 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.197 0.443 . . . . 10.8 112.197 -173.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.498 ' H ' ' HA3' ' A' ' 124' ' ' GLY . 6.0 p -148.26 -50.74 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 119.412 -0.915 . . . . 11.44 112.899 168.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.45 ' C ' ' HA2' ' A' ' 124' ' ' GLY . 17.9 ptpt -157.53 135.82 11.1 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 122.004 -0.435 . . . . 10.72 111.407 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.736 ' SG ' ' HB2' ' A' ' 125' ' ' HIS . 33.6 t -79.32 139.24 37.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.09 -0.504 . . . . 8.16 110.329 175.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.513 ' HB3' ' HB2' ' A' ' 127' ' ' ALA . 10.5 t80 -87.53 61.7 6.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.515 0.674 . . . . 7.76 109.492 175.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.432 ' HB3' ' HB2' ' A' ' 135' ' ' LYS . 31.2 p30 172.76 -38.04 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.451 -1.249 . . . . 8.9 110.063 173.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 117' ' ' CYS . 82.6 m -84.03 -22.18 31.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.092 0.472 . . . . 9.54 110.164 176.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 85.78 -22.5 11.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.877 -0.678 . . . . 9.05 112.388 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -141.85 156.33 45.54 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.212 -0.662 . . . . 12.7 109.212 -176.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 23.6 tt0 63.59 119.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.515 1.135 . . . . 12.54 110.148 -176.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.498 ' HA3' ' H ' ' A' ' 115' ' ' VAL . . . -76.33 57.06 3.28 Favored Glycine 0 C--O 1.235 0.218 0 N-CA-C 114.937 0.735 . . . . 11.83 114.937 -164.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.736 ' HB2' ' SG ' ' A' ' 117' ' ' CYS . 4.8 m170 -65.09 160.81 20.27 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.158 -1.053 . . . . 11.94 108.158 170.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.3 pt -99.27 124.65 52.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 N-CA-C 109.107 -0.701 . . . . 12.22 109.107 173.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.513 ' HB2' ' HB3' ' A' ' 118' ' ' PHE . . . -60.56 -19.6 57.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.518 -0.765 . . . . 9.79 112.386 -172.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -82.8 -7.81 59.63 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.675 -0.41 . . . . 13.15 110.947 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -121.86 -22.97 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.174 0.512 . . . . 14.48 110.695 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 48.8 t -80.17 116.39 20.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.108 -0.497 . . . . 11.41 110.183 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -88.5 99.9 12.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.38 . . . . 17.31 110.036 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 134' ' ' ARG . . . -146.73 125.04 6.19 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.187 -0.46 . . . . 11.89 110.438 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.7 30.81 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.981 2.454 . . . . 13.32 112.58 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.412 ' H ' ' C ' ' A' ' 132' ' ' ALA . 1.9 tpm_? -103.76 -26.43 12.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.878 -0.601 . . . . 12.3 109.975 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.598 ' HG2' ' H ' ' A' ' 137' ' ' GLY . 52.7 tttm -71.59 -89.73 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.86 -0.609 . . . . 10.11 111.516 -173.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.567 ' HZ3' ' HB2' ' A' ' 136' ' ' LYS . 0.0 OUTLIER 55.25 24.65 6.58 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 122.849 0.46 . . . . 11.69 111.221 -176.198 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.598 ' H ' ' HG2' ' A' ' 135' ' ' LYS . . . 70.72 -64.91 0.85 Allowed Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 111.362 -0.695 . . . . 9.53 111.362 -171.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 141' ' ' CYS . 68.8 m -87.57 117.38 26.34 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.213 -0.493 . . . . 12.01 109.77 175.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -69.64 -35.84 75.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.791 0.329 . . . . 11.32 110.403 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.43 ' C ' ' H ' ' A' ' 142' ' ' GLY . 85.2 tttt -97.23 -52.21 3.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.596 0.712 . . . . 16.11 109.958 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' CYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 138' ' ' CYS . 16.3 t -78.07 30.15 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.122 -0.945 . . . . 13.97 110.079 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 140' ' ' LYS . . . -72.21 73.81 0.87 Allowed Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.717 -0.674 . . . . 12.26 112.387 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -81.88 -73.67 0.38 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.487 -0.56 . . . . 15.88 109.487 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -115.73 -33.46 5.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.105 0.479 . . . . 14.2 110.895 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 136' ' ' LYS . . . 137.67 99.48 0.51 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.882 -0.675 . . . . 13.35 111.607 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.533 ' O ' ' HA3' ' A' ' 137' ' ' GLY . 0.1 OUTLIER -133.04 -177.91 4.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.945 0.403 . . . . 14.96 110.161 -175.77 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -86.39 117.12 24.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.758 -0.655 . . . . 15.24 109.442 171.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.533 ' HA ' ' SG ' ' A' ' 138' ' ' CYS . 25.7 ttt -58.05 -32.19 67.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.888 -0.596 . . . . 13.85 111.936 -175.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -74.69 -31.94 62.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.799 0.296 . . . . 16.38 111.799 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -81.27 -22.97 38.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.967 0.413 . . . . 17.63 110.832 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 67.6 m -82.07 114.04 20.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.028 0.442 . . . . 15.97 111.235 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.414 ' HB ' ' HG3' ' A' ' 155' ' ' GLN . 25.4 m -87.6 122.36 31.2 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.502 -0.925 . . . . 18.95 108.502 170.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -56.38 136.86 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 19.35 111.567 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 61.39 63.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.136 -0.938 . . . . 23.48 111.111 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.414 ' HG3' ' HB ' ' A' ' 152' ' ' THR . 22.2 mm-40 -136.94 128.86 29.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.484 -0.78 . . . . 22.51 109.916 173.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -117.1 59.61 0.76 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.101 -0.499 . . . . 23.3 110.65 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 47.1 t30 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.608 -0.711 . . . . 24.3 110.336 -179.543 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mtp . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.064 0.459 . . . . 20.97 110.512 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -139.83 127.82 22.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.529 -0.76 . . . . 22.1 109.453 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -73.67 124.85 90.68 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 120.711 0.291 . . . . 17.23 110.244 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -78.41 27.1 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.815 2.343 . . . . 15.76 112.205 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -98.03 -14.35 20.57 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.396 -0.82 . . . . 15.79 109.907 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -62.16 -17.06 56.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.22 -0.9 . . . . 13.32 111.602 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.522 HG13 HD22 ' A' ' 8' ' ' LEU . 17.3 pt -86.58 -18.69 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.875 -0.33 . . . . 12.15 111.267 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.522 HD22 HG13 ' A' ' 7' ' ' ILE . 2.6 mm? -84.75 -39.57 18.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.208 0.527 . . . . 13.09 109.664 175.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.503 ' O ' HD12 ' A' ' 10' ' ' ILE . 6.8 m-20 -80.62 -32.35 36.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.572 -0.74 . . . . 12.54 111.216 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.601 HD13 ' CD1' ' A' ' 25' ' ' PHE . 1.1 pp 29.39 50.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.359 1.064 . . . . 8.74 113.664 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.5 ' HG3' ' HB3' ' A' ' 9' ' ' ASP . 67.5 mtt180 -90.77 173.35 8.06 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.837 -0.801 . . . . 13.19 108.837 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 21' ' ' TYR . 41.1 tt0 -91.4 104.83 17.3 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.173 -0.611 . . . . 8.1 110.729 178.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.04 154.24 49.93 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 110.782 -0.927 . . . . 9.01 110.782 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HB2' ' HG2' ' A' ' 86' ' ' ARG . 39.4 Cg_endo -66.51 1.27 2.71 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.531 2.154 . . . . 10.91 113.322 -175.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -119.57 3.14 11.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.625 -0.261 . . . . 13.55 111.458 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.3 tp10 -91.36 120.11 68.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 111.778 0.288 . . . . 9.91 111.778 -168.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 16' ' ' GLU . 12.7 Cg_exo -71.49 142.31 40.27 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.903 2.402 . . . . 9.95 111.496 172.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 61.4 t80 -46.21 -57.84 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.17 0.804 . . . . 6.75 113.17 -172.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -53.6 -37.24 62.81 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.301 0.482 . . . . 13.72 112.301 -174.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 33.8 t70 -81.05 -43.87 18.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.022 0.439 . . . . 11.24 109.867 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 12' ' ' GLN . 5.5 t80 -50.75 -44.85 58.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.385 -0.825 . . . . 7.3 110.465 174.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 80.6 t -75.25 -33.83 29.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.249 -0.887 . . . . 6.77 110.658 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.57 -39.91 89.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.123 0.487 . . . . 11.68 110.298 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 25.5 mtp180 -69.08 -49.3 58.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.798 0.808 . . . . 11.36 109.394 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.601 ' CD1' HD13 ' A' ' 10' ' ' ILE . 48.8 t80 -62.08 -28.36 69.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.197 -1.365 . . . . 7.02 111.435 -176.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -89.52 -32.5 17.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.806 0.336 . . . . 11.44 110.956 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 16.8 pttp -69.49 -27.82 65.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.559 -0.291 . . . . 13.47 110.888 -174.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -72.15 -30.97 65.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 9.35 110.407 174.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 76.7 mt -70.12 -35.5 74.15 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.155 -0.475 . . . . 9.09 111.008 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -81.52 -26.01 35.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.182 0.515 . . . . 14.19 110.428 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.79 -30.39 56.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.591 -0.731 . . . . 11.93 111.639 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -82.68 -163.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.698 0.285 . . . . 10.89 110.637 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -60.43 150.16 31.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.711 0.767 . . . . 11.52 110.66 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 36' ' ' GLN . . . -74.88 -20.38 59.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.946 -1.025 . . . . 11.97 112.656 -171.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.408 ' O ' ' HE2' ' A' ' 39' ' ' LYS . 4.6 m -41.71 95.99 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.986 0.804 . . . . 12.02 112.375 -177.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 97.0 mt-30 -80.91 -30.65 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 12.14 111.432 -174.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.41 -35.83 65.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 14.44 111.801 -175.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.2 t -80.35 -43.4 21.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.968 0.413 . . . . 11.61 110.339 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' A' ' 35' ' ' SER . 51.7 mtmt -70.98 -50.28 36.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 9.78 111.51 -171.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 7.2 m120 -60.5 -35.68 76.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.097 -0.501 . . . . 11.43 112.153 -174.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.71 -39.86 23.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.871 0.367 . . . . 11.43 111.049 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -64.8 -51.42 62.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 9.19 111.077 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.6 p -55.4 -27.71 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.938 0.718 . . . . 7.35 112.938 -174.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 40' ' ' ASN . 43.0 mt-10 -58.99 -54.82 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.203 0.525 . . . . 11.69 110.098 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.0 m -78.72 -33.21 46.94 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.597 -0.729 . . . . 11.34 110.704 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -59.8 -53.76 54.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 8.22 110.654 -178.219 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.05 -27.21 68.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.221 0.534 . . . . 5.99 110.539 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.3 t -81.42 -24.42 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.555 -0.748 . . . . 8.67 110.623 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -79.68 -48.49 13.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.782 -0.645 . . . . 12.22 111.101 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' ND2' ' HA ' ' A' ' 11' ' ' ARG . 32.2 p-10 -94.17 14.23 20.76 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.18 0.437 . . . . 8.3 112.18 -174.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.12 166.55 17.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.853 0.358 . . . . 8.36 110.343 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.51 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 35.6 t30 -65.47 127.61 93.11 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 108.916 -0.772 . . . . 9.4 108.916 174.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.51 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 54.1 Cg_exo -37.63 -54.91 1.15 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.408 2.739 . . . . 11.66 113.4 -177.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.51 -42.11 98.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.643 0.735 . . . . 10.64 111.281 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.483 ' O ' HG12 ' A' ' 58' ' ' ILE . 42.7 t -62.41 -41.6 98.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.456 -1.247 . . . . 8.04 111.958 -173.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -78.8 -22.57 46.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.417 0.627 . . . . 10.04 110.29 177.453 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.448 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 29.5 m -68.83 -40.45 79.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.252 -0.885 . . . . 12.46 111.294 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.1 pt -65.39 -34.44 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.949 -0.301 . . . . 11.46 111.018 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.698 HD21 ' SG ' ' A' ' 75' ' ' CYS . 77.1 mt -57.82 -46.51 84.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.258 0.551 . . . . 11.84 110.916 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 57' ' ' THR . 18.1 ptmt -79.87 -19.45 48.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.677 -0.692 . . . . 14.91 110.484 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.55 -30.94 61.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.581 . . . . 15.64 110.606 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 74.5 mt -58.94 -39.5 81.81 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.207 -0.451 . . . . 15.72 110.875 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.66 -79.5 0.29 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.399 -0.905 . . . . 16.17 112.873 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -74.56 4.04 4.85 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.036 2.491 . . . . 17.44 113.122 -175.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.2 3.49 82.23 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.822 -0.704 . . . . 15.83 111.741 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.518 ' HB2' HD12 ' A' ' 62' ' ' LEU . . . 63.73 95.43 0.05 OUTLIER 'General case' 0 N--CA 1.461 0.097 0 CA-C-O 121.378 0.609 . . . . 14.15 111.197 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.8 m -65.21 -68.93 0.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.393 -0.822 . . . . 15.45 112.575 -173.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -136.21 -65.42 0.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.376 -0.53 . . . . 12.22 111.258 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -79.15 -24.06 43.55 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.413 -0.515 . . . . 16.53 109.927 -174.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -64.5 -51.84 60.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.367 -0.833 . . . . 15.56 109.857 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.431 ' N ' ' HB1' ' A' ' 66' ' ' ALA . 26.0 ptt? -68.7 -28.17 66.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.894 -0.594 . . . . 10.3 110.787 -177.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.565 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 40.1 ttp -71.14 -50.35 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.755 -0.461 . . . . 11.15 109.755 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.1 m -68.17 -33.24 74.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.513 -0.767 . . . . 12.02 111.454 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.12 -42.33 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.235 -0.439 . . . . 9.32 111.738 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.698 ' SG ' HD21 ' A' ' 59' ' ' LEU . 72.2 m -99.63 0.81 42.81 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.717 0.636 . . . . 7.31 112.717 -172.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -81.8 115.45 21.03 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.869 -0.733 . . . . 10.66 109.894 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.52 58.94 11.83 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.454 -0.794 . . . . 8.85 112.854 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.66 97.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 N-CA-C 109.806 -0.442 . . . . 8.24 109.806 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.46 20.14 78.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.923 -0.656 . . . . 10.49 111.586 -173.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.72 154.23 27.88 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.228 -0.749 . . . . 10.42 111.228 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.2 -66.4 0.05 OUTLIER 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.472 2.115 . . . . 12.1 111.94 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.13 52.51 3.18 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.753 -0.737 . . . . 11.07 112.044 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -66.57 132.81 49.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.098 0.475 . . . . 10.71 111.3 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.482 ' O ' HG12 ' A' ' 87' ' ' VAL . 22.5 ttmm -66.29 -18.24 65.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.8 -0.636 . . . . 12.21 110.68 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.97 -17.79 4.19 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 115.295 -0.866 . . . . 8.99 111.445 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HG2' ' HB2' ' A' ' 14' ' ' PRO . 92.0 mtm180 -50.37 -45.35 55.19 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 111.67 0.248 . . . . 10.56 111.67 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 84' ' ' LYS . 13.9 p -71.08 -28.67 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.176 0.512 . . . . 7.9 110.535 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.473 ' O ' ' HG3' ' A' ' 92' ' ' MET . 92.5 mt -77.92 -48.05 17.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.646 -0.706 . . . . 8.66 110.032 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 92' ' ' MET . . . -62.13 -26.75 68.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.519 -0.764 . . . . 7.41 110.869 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.97 -38.07 89.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.747 -0.66 . . . . 8.34 109.362 175.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 94' ' ' GLN . . . -83.55 -26.6 29.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 7.39 110.447 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.724 ' HA ' HG22 ' A' ' 95' ' ' VAL . 92.2 mtp -68.47 -20.49 64.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.015 -0.539 . . . . 10.32 110.806 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.1 m -55.9 -35.77 66.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.412 -0.358 . . . . 9.14 111.197 -178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 91' ' ' ALA . 11.3 pt20 -85.86 -36.71 19.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.743 -0.208 . . . . 9.08 111.432 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.724 HG22 ' HA ' ' A' ' 92' ' ' MET . 3.2 m -74.18 -21.3 17.69 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 C-N-CA 120.753 -0.379 . . . . 10.49 110.826 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 t -80.67 11.89 3.51 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.83 0.348 . . . . 11.8 111.333 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -47.93 149.57 2.33 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.359 -0.382 . . . . 11.34 110.327 172.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.474 ' O ' HG12 ' A' ' 101' ' ' ILE . 11.6 Cg_endo -54.27 -14.44 6.58 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.93 3.087 . . . . 12.7 115.141 -168.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.97 -31.21 58.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.244 0.545 . . . . 11.25 110.224 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.2 m -87.92 -25.77 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.736 -0.665 . . . . 10.63 111.561 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 98' ' ' PRO . 35.7 pt -61.69 -23.76 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.071 0.462 . . . . 12.53 110.41 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 59.0 mtt -68.44 -28.23 66.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.534 -0.757 . . . . 13.25 109.999 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.6 mt -84.99 -34.95 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.965 -0.561 . . . . 11.41 109.987 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -63.28 -22.37 66.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.617 -0.72 . . . . 11.93 111.453 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.1 -42.19 89.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 14.37 110.296 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -81.82 -22.16 60.21 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.887 -0.673 . . . . 12.03 111.764 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -71.87 -23.62 61.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.97 0.414 . . . . 12.33 110.422 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -62.05 -24.33 67.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.028 -0.533 . . . . 14.51 110.822 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.62 -17.77 61.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.17 -0.468 . . . . 15.12 110.999 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.45 ' HB2' ' HB2' ' A' ' 113' ' ' LYS . 34.6 m-80 57.21 -157.63 0.28 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.845 -0.616 . . . . 13.93 110.833 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -87.22 -39.57 15.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.518 -0.549 . . . . 14.01 109.518 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -154.07 60.53 0.71 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.568 -0.742 . . . . 14.43 110.784 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' HB2' ' HB2' ' A' ' 110' ' ' ASN . 46.6 tptt -76.59 -82.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 12.41 110.217 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 26.2 m -86.77 -16.42 36.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.582 0.706 . . . . 10.8 110.018 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.57 23.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.446 -0.797 . . . . 11.44 110.986 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -90.1 126.23 35.71 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.407 0.622 . . . . 10.72 111.283 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.1 m -79.18 127.7 32.36 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.535 -0.757 . . . . 8.16 112.062 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -93.06 61.51 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.016 0.436 . . . . 7.76 109.876 173.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -177.23 -41.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.594 -0.73 . . . . 8.9 109.753 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 76.6 m -74.46 -5.1 40.64 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.206 0.527 . . . . 9.54 110.749 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 86.64 48.2 4.56 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.034 -0.603 . . . . 9.05 112.527 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 63.31 66.75 0.69 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.672 0.749 . . . . 12.7 110.662 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -118.14 164.24 15.44 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.794 -1.094 . . . . 12.54 109.39 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -85.33 49.64 4.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.255 -0.497 . . . . 11.83 113.786 -172.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.84 -171.17 2.79 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.188 -0.671 . . . . 11.94 109.188 173.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 39.2 pt -115.84 129.02 72.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.3 0.571 . . . . 12.22 110.407 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.97 -19.02 60.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.39 -0.823 . . . . 9.79 111.414 -176.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -73.86 -21.56 60.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.704 -0.68 . . . . 13.15 111.157 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -107.62 -23.2 12.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 14.48 110.644 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 78.9 m -82.81 122.03 27.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.514 -0.312 . . . . 11.41 111.123 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -86.92 100.08 12.32 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.989 -0.745 . . . . 17.31 108.989 170.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -156.48 135.9 8.16 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.696 -0.684 . . . . 11.89 110.108 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.95 109.81 0.37 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.069 2.513 . . . . 13.32 112.529 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.465 ' HG2' ' N ' ' A' ' 135' ' ' LYS . 54.2 ttp180 -81.05 159.73 24.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.809 -0.632 . . . . 12.3 110.331 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.465 ' N ' ' HG2' ' A' ' 134' ' ' ARG . 74.1 mmtt -75.19 -170.07 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.014 -0.539 . . . . 10.11 110.031 173.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -78.56 51.07 1.02 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.892 0.377 . . . . 11.69 110.942 -178.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 146' ' ' HIS . . . 75.14 -73.34 1.54 Allowed Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.864 -0.607 . . . . 9.53 111.876 -177.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' A' ' 148' ' ' MET . 71.6 m -82.39 147.0 29.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.834 0.349 . . . . 12.01 110.454 177.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -99.37 -48.03 4.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.134 -0.485 . . . . 11.32 110.499 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -78.67 -48.86 14.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.677 -0.86 . . . . 16.11 108.677 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 141' ' ' CYS . 26.6 t -85.45 28.35 0.75 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.084 -0.962 . . . . 13.97 109.327 177.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -70.97 93.02 0.48 Allowed Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.972 -0.632 . . . . 12.26 113.023 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -108.77 -84.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.741 0.271 . . . . 15.88 111.372 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -112.48 -35.16 5.64 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.197 0.443 . . . . 14.2 112.197 -176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 155.77 82.01 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.02 -1.086 . . . . 13.35 112.67 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.405 ' O ' ' HA3' ' A' ' 137' ' ' GLY . 0.0 OUTLIER -133.66 130.55 38.4 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.978 -0.749 . . . . 14.96 108.978 177.032 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.401 ' CD ' ' H ' ' A' ' 147' ' ' GLN . 21.7 mp0 -64.91 126.6 28.51 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.446 -0.575 . . . . 15.24 109.446 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.542 ' HA ' ' SG ' ' A' ' 138' ' ' CYS . 46.4 ttm -48.62 -46.55 39.87 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.205 0.817 . . . . 13.85 113.205 -168.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -74.76 -50.79 16.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.202 0.525 . . . . 16.38 110.721 -176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.05 -9.11 58.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.274 -0.875 . . . . 17.63 112.138 -174.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 49.1 t -57.26 109.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.196 0.522 . . . . 15.97 111.513 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 9.6 t -139.18 135.39 33.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.611 -0.722 . . . . 18.95 109.079 175.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -86.82 133.7 33.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.023 0.44 . . . . 19.35 111.943 -174.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -163.51 49.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.161 -0.927 . . . . 23.48 109.388 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -109.17 -62.47 1.48 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.319 -0.855 . . . . 22.51 109.328 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -82.82 -32.77 27.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.727 -0.669 . . . . 23.3 109.866 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.413 -0.803 . . . . 24.3 109.786 178.555 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtm . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 109.625 -0.509 . . . . 20.97 109.625 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -88.34 18.9 4.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 22.1 111.455 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.522 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 8.1 m -61.62 -52.67 67.75 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 116.295 -0.411 . . . . 17.23 111.584 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 3' ' ' SER . 97.4 Cg_endo -84.01 18.57 1.51 Allowed 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 121.638 1.559 . . . . 15.76 112.479 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.505 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 25.3 m -92.67 -21.2 20.15 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.428 -0.805 . . . . 15.79 110.128 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.406 ' OG ' ' HG2' ' A' ' 24' ' ' ARG . 23.2 t -63.63 -17.25 62.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.683 -0.69 . . . . 13.32 110.3 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.1 mt -71.76 -36.94 60.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 115.566 -0.743 . . . . 12.15 110.773 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 5' ' ' THR . 4.5 pp -84.54 -18.56 35.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.368 0.604 . . . . 13.09 110.249 175.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 11' ' ' ARG . 30.6 t70 -92.45 26.89 2.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.688 0.756 . . . . 12.54 110.488 -176.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.434 ' H ' HG12 ' A' ' 10' ' ' ILE . 6.0 pt -74.6 20.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.554 -0.748 . . . . 8.74 111.714 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' H ' ' C ' ' A' ' 9' ' ' ASP . 16.1 ptt180 -91.95 171.04 9.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.64 -0.709 . . . . 13.19 109.579 177.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.494 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 57.2 tt0 -104.54 120.34 41.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.829 0.347 . . . . 8.1 110.159 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.27 169.82 50.96 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.725 -0.75 . . . . 9.01 111.802 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -55.74 -33.53 88.08 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.298 2.665 . . . . 10.91 113.862 -175.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -118.85 9.43 12.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.006 0.431 . . . . 13.55 110.853 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' CD ' HH12 ' A' ' 24' ' ' ARG . 7.7 tt0 -75.32 126.35 87.87 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 115.761 -0.654 . . . . 9.91 110.854 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 16' ' ' GLU . 16.9 Cg_exo -66.86 139.2 51.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.477 2.118 . . . . 9.95 112.544 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.68 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 77.4 t80 -48.79 -61.06 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.026 0.38 . . . . 6.75 112.026 -176.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -62.47 -7.78 5.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.292 0.479 . . . . 13.72 112.292 -175.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.502 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 14.6 t70 -87.89 -48.38 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.974 -0.29 . . . . 11.24 110.391 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 4.5 p90 -75.2 -31.8 61.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.529 -0.468 . . . . 7.3 110.45 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.8 t -68.92 -24.95 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.999 -0.546 . . . . 6.77 109.763 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 23.3 t70 -67.61 -36.36 80.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.883 -0.599 . . . . 11.68 110.181 -178.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -75.87 -35.22 59.96 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.421 -0.585 . . . . 11.36 109.421 177.219 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 83.4 t80 -62.08 -35.69 79.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.357 -0.838 . . . . 7.02 110.001 176.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.54 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 62.6 t80 -74.29 -34.16 63.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.815 -0.629 . . . . 11.44 109.694 -177.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 56.0 mtpt -58.23 -53.43 58.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.442 -0.799 . . . . 13.47 111.159 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.598 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 11.5 t -71.61 -25.56 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.954 -0.298 . . . . 9.35 110.447 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 22.3 tp -65.72 -30.86 71.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 9.09 110.439 -177.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 40.3 mtm180 -73.09 -27.78 61.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 14.19 110.336 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.63 -52.06 5.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.908 -0.587 . . . . 11.93 111.553 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.4 pt-20 -86.15 29.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.076 0.465 . . . . 10.89 111.368 -175.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -73.13 -5.44 39.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 11.52 110.961 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.13 -52.84 62.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.786 -0.643 . . . . 11.97 110.444 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 m -82.03 75.18 8.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.325 -0.621 . . . . 12.02 109.325 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.58 -42.39 92.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 12.14 112.251 -171.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -55.92 -48.97 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.448 0.536 . . . . 14.44 112.448 -176.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -78.12 -30.64 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 111.994 0.368 . . . . 11.61 111.994 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -28.89 42.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.108 0.48 . . . . 9.78 110.249 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.28 -22.03 59.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.524 0.678 . . . . 11.43 109.244 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.526 ' O ' HG22 ' A' ' 45' ' ' THR . . . -82.64 -41.85 18.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.513 -0.767 . . . . 11.43 109.647 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.673 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -58.95 -38.31 78.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.382 -0.826 . . . . 9.19 111.742 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 t -65.84 -35.0 79.44 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.467 -0.493 . . . . 7.35 111.046 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 45' ' ' THR . 11.3 pt-20 -85.78 -57.91 2.86 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.688 -0.405 . . . . 11.69 111.959 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 41' ' ' ALA . 14.6 t -86.21 -30.66 22.23 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.347 0.499 . . . . 11.34 112.347 -172.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.673 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 29.5 tp -83.91 -37.68 22.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.432 -0.507 . . . . 8.22 111.723 -174.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.1 mt -58.98 -34.7 72.13 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.48 -0.488 . . . . 5.99 111.441 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.49 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 17.0 m -82.04 -26.26 9.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.803 0.335 . . . . 8.67 110.923 176.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.2 -51.5 17.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.456 -0.338 . . . . 12.22 110.199 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -81.21 2.76 26.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.572 -0.286 . . . . 8.3 111.445 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -68.98 166.58 17.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 8.36 110.691 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.705 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 38.7 t30 -62.5 127.33 89.88 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.044 -0.724 . . . . 9.4 109.044 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.528 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 50.5 Cg_exo -36.79 -53.53 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.944 3.096 . . . . 11.66 114.001 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.4 -36.48 81.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.938 0.399 . . . . 10.64 111.352 -175.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.705 ' SG ' ' HB3' ' A' ' 52' ' ' ASN . 61.2 m -63.61 -54.33 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.833 -0.621 . . . . 8.04 110.979 -177.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' ' 53' ' ' PRO . 2.9 pttt -68.37 -23.9 64.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.161 0.505 . . . . 10.04 110.476 -177.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.1 m -63.14 -41.52 99.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.684 -0.689 . . . . 12.46 111.11 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 55' ' ' CYS . 2.9 pp -83.8 -22.37 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.771 -0.372 . . . . 11.46 111.671 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.591 HD11 ' SG ' ' A' ' 75' ' ' CYS . 66.2 mt -58.1 -42.77 86.39 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.263 0.554 . . . . 11.84 110.731 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' HA ' ' HA2' ' A' ' 65' ' ' GLY . 17.7 ptmt -75.85 -21.75 56.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.893 -0.594 . . . . 14.91 110.543 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.22 -23.65 60.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 15.64 110.532 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 54.5 mt -67.02 -24.87 66.05 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.013 -0.54 . . . . 15.72 110.552 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.35 -82.38 0.31 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.466 -0.874 . . . . 16.17 113.13 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.7 3.89 7.37 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.935 2.423 . . . . 17.44 113.432 -174.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 60' ' ' LYS . . . 87.97 14.66 62.36 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.564 -0.827 . . . . 15.83 111.74 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 71' ' ' MET . . . 68.75 112.19 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 O-C-N 124.44 0.729 . . . . 14.15 111.343 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.1 m -76.75 -67.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.343 -0.844 . . . . 15.45 112.153 -174.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -145.94 -64.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.787 -0.365 . . . . 12.22 110.789 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.32 -25.25 62.33 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.338 0.589 . . . . 16.53 109.948 -176.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.38 -54.97 24.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.008 -0.996 . . . . 15.56 109.789 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.461 ' HB3' ' HB1' ' A' ' 66' ' ' ALA . 19.9 ptm -70.45 -28.19 64.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.681 -0.69 . . . . 10.3 110.721 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.68 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 46.9 ttp -68.76 -38.68 80.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.269 0.556 . . . . 11.15 109.788 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.3 m -84.26 -35.62 23.27 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.062 -0.972 . . . . 12.02 111.209 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.03 -52.7 11.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.978 -0.555 . . . . 9.32 112.233 -174.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.591 ' SG ' HD11 ' A' ' 59' ' ' LEU . 77.5 m -63.34 -24.22 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.402 0.519 . . . . 7.31 112.402 -173.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -81.11 115.31 20.48 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.098 -0.641 . . . . 10.66 110.244 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.65 -46.19 1.2 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.65 -0.786 . . . . 8.85 112.703 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.36 117.39 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.923 0.392 . . . . 8.24 110.851 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.77 -12.9 61.05 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.916 -0.659 . . . . 10.49 111.749 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.1 -113.36 1.16 Allowed Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 121.01 -0.614 . . . . 10.42 112.593 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -85.38 52.0 3.13 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.873 2.382 . . . . 12.1 113.874 -174.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.63 90.49 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 119.685 -1.245 . . . . 11.07 113.735 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -73.16 77.59 1.27 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.223 0.535 . . . . 10.71 109.601 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.505 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 19.6 ptpt -84.83 13.94 5.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.058 -0.519 . . . . 12.21 111.741 -174.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.22 -37.16 79.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.115 0.483 . . . . 8.99 110.118 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -64.34 -38.65 91.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.579 -0.737 . . . . 10.56 110.196 175.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -69.9 -38.1 74.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.793 -0.64 . . . . 7.9 110.229 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 84' ' ' LYS . 89.9 mt -64.88 -50.46 66.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.95 -0.568 . . . . 8.66 110.343 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.77 -31.42 70.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.63 . . . . 7.41 110.332 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 13.0 tp10 -71.86 -40.85 68.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.806 -0.634 . . . . 8.34 110.37 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.19 -30.04 64.57 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.235 0.541 . . . . 7.39 110.004 -175.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.437 ' O ' HG22 ' A' ' 95' ' ' VAL . 92.4 mtp -64.78 -27.6 69.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.227 -0.897 . . . . 10.32 110.02 176.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.2 t -85.03 -22.72 28.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.73 -0.668 . . . . 9.14 110.594 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 80.6 mm-40 -84.01 -17.15 41.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.036 -0.529 . . . . 9.08 111.932 -175.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 92' ' ' MET . 35.1 m -55.89 -21.75 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 112.418 0.525 . . . . 10.49 112.418 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 m -67.43 -30.42 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.437 0.637 . . . . 11.8 110.188 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -103.78 158.75 31.22 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.351 -0.84 . . . . 11.34 109.909 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.66 20.2 0.38 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.532 2.155 . . . . 12.7 112.585 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.14 -34.17 63.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 11.25 110.564 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.4 p -71.4 -26.84 62.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.694 0.759 . . . . 10.63 110.123 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 28.1 mm -76.57 -40.42 33.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.001 -1.0 . . . . 12.53 109.661 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.2 ttt -63.69 -44.33 94.02 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.049 -0.978 . . . . 13.25 111.148 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.5 tt -71.85 -25.5 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 11.41 110.459 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -61.5 -41.68 97.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 11.93 110.451 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -63.68 -33.01 74.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.935 -0.575 . . . . 14.37 110.256 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.56 -39.63 29.46 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.932 -0.652 . . . . 12.03 112.101 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.95 -25.88 66.56 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.776 0.322 . . . . 12.33 110.769 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.65 -39.74 89.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 14.51 109.959 174.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -83.75 -40.35 18.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 15.12 110.2 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 49.8 t30 71.63 -59.69 0.54 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.105 0.962 . . . . 13.93 111.704 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -72.29 121.48 19.5 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.431 -0.581 . . . . 14.01 109.431 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 74.4 mtt85 -124.88 -97.48 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.212 0.529 . . . . 14.43 112.022 -174.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.49 ' HB3' ' HD2' ' A' ' 122' ' ' LYS . 33.3 mtmm -84.1 33.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.786 -0.643 . . . . 12.41 112.531 -170.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.9 m -65.98 -66.48 0.54 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.143 -0.223 . . . . 10.8 111.305 -175.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.569 ' O ' ' HA3' ' A' ' 124' ' ' GLY . 3.3 t -134.87 21.94 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 CA-C-O 121.416 0.627 . . . . 11.44 110.077 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.635 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . 82.0 mttt -100.19 149.13 23.87 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 112.451 0.537 . . . . 10.72 112.451 -171.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.896 ' SG ' ' HB2' ' A' ' 125' ' ' HIS 0.255 44.0 m -64.88 161.11 19.01 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 129.2 3.0 . . . . 8.16 115.659 -176.381 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.464 ' HB3' ' O ' ' A' ' 122' ' ' LYS . 20.1 p90 -73.01 68.51 0.93 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 122.304 1.049 . . . . 7.76 109.239 170.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 174.07 -43.43 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 113.849 -1.523 . . . . 8.9 108.016 -168.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' A' ' 116' ' ' LYS . 7.3 p -113.38 -11.59 13.12 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.364 -0.835 . . . . 9.54 110.583 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.506 ' HA3' ' HB2' ' A' ' 116' ' ' LYS . . . -176.1 -51.49 0.06 OUTLIER Glycine 0 CA--C 1.54 1.62 0 N-CA-C 115.333 0.893 . . . . 9.05 115.333 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.49 ' HD2' ' HB3' ' A' ' 113' ' ' LYS . 60.4 tttm -166.66 -66.16 0.03 OUTLIER 'General case' 0 C--N 1.345 0.406 0 CA-C-N 118.676 1.238 . . . . 12.7 112.349 -171.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 116' ' ' LYS . 12.7 pt-20 -176.95 6.09 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.346 1.239 . . . . 12.54 114.346 174.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 115' ' ' VAL . . . -59.95 -28.79 66.64 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 114.824 0.69 . . . . 11.83 114.824 -167.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.896 ' HB2' ' SG ' ' A' ' 117' ' ' CYS . 3.5 m170 -112.28 -147.16 0.41 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.595 -1.261 . . . . 11.94 107.595 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.59 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.1 OUTLIER -111.35 119.78 60.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.165 -0.68 . . . . 12.22 109.165 170.511 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.42 -19.87 57.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.466 -0.788 . . . . 9.79 112.06 -173.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -81.42 -13.67 57.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.384 -0.371 . . . . 13.15 111.603 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.418 ' HB3' HG12 ' A' ' 126' ' ' ILE . 10.6 t30 -102.52 -23.08 13.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.751 0.31 . . . . 14.48 111.149 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 1.4 m -82.87 124.93 30.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.182 0.515 . . . . 11.41 111.11 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -94.69 100.29 12.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.698 0.761 . . . . 17.31 109.804 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -133.2 164.73 41.91 Favored Pre-proline 0 C--N 1.316 -0.876 0 CA-C-N 115.289 -0.869 . . . . 11.89 109.326 -176.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.67 1.0 3.52 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.269 1.979 . . . . 13.32 112.138 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 25.5 mtp-105 66.73 118.58 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 114.706 -1.134 . . . . 12.3 112.247 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -70.41 179.06 2.62 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.372 -0.973 . . . . 10.11 108.372 169.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -63.9 -79.74 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.869 -0.789 . . . . 11.69 108.869 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 63.98 164.18 0.69 Allowed Glycine 0 N--CA 1.45 -0.398 0 CA-C-O 121.715 0.619 . . . . 9.53 114.26 172.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 145' ' ' GLY . 16.8 t -122.02 103.38 8.77 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.289 -1.004 . . . . 12.01 108.289 173.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -79.27 12.62 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.269 0.557 . . . . 11.32 111.162 -173.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -101.27 -44.41 5.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.798 -0.637 . . . . 16.11 110.687 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 30.1 p -115.31 -18.14 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 13.97 110.545 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 97.71 9.11 55.18 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.644 -0.789 . . . . 12.26 113.658 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -79.24 179.11 7.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.487 0.643 . . . . 15.88 111.153 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -93.06 -24.06 18.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.957 -0.565 . . . . 14.2 111.557 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' A' ' 138' ' ' CYS . . . -113.95 -128.86 4.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.529 -0.844 . . . . 13.35 112.489 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.493 ' HB2' ' SG ' ' A' ' 138' ' ' CYS . 17.1 m170 69.81 159.7 0.19 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.483 0.658 . . . . 14.96 111.537 178.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.85 -14.41 42.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.363 -0.835 . . . . 15.24 110.031 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 28.5 ttt 71.65 -49.34 0.68 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.192 -0.913 . . . . 13.85 111.681 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -62.82 -38.15 89.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.158 0.504 . . . . 16.38 110.452 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -82.23 -14.98 54.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.429 -0.805 . . . . 17.63 110.671 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 11.9 t -79.11 110.79 14.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.591 -0.731 . . . . 15.97 110.05 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 12.5 t -123.37 135.89 54.38 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.147 -0.479 . . . . 18.95 109.74 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.32 116.55 25.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.897 -0.408 . . . . 19.35 109.897 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -79.31 77.98 5.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.545 0.688 . . . . 23.48 111.157 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -118.02 124.44 48.14 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.826 -0.624 . . . . 22.51 110.104 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -93.06 90.97 7.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.169 -0.469 . . . . 23.3 110.843 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.477 -0.773 . . . . 24.3 110.533 -179.515 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.38 0.133 . . . . 20.97 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.4 t80 56.08 72.29 0.5 Allowed 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.542 0.526 . . . . 22.1 109.661 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 p -60.64 123.91 76.49 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.35 -0.841 . . . . 17.23 111.179 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.64 161.52 39.47 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.441 2.094 . . . . 15.76 111.646 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 m -74.6 -17.78 60.66 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.714 -0.676 . . . . 15.79 110.48 -176.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -60.31 -16.34 33.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.439 -0.8 . . . . 13.32 111.66 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.4 mt -69.58 -44.94 79.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.856 0.36 . . . . 12.15 110.615 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 pp -84.96 -29.52 25.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.144 0.497 . . . . 13.09 110.304 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.62 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 32.4 t70 -92.77 29.54 1.76 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.65 -0.705 . . . . 12.54 109.943 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.452 HD13 ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -53.05 85.34 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 113.813 1.042 . . . . 8.74 113.813 -177.465 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 2.4 ppt_? -135.68 131.61 35.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 13.19 110.108 173.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 13' ' ' GLY . 46.6 tt0 -75.44 135.09 40.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.947 -0.57 . . . . 8.1 112.04 -172.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.43 ' O ' ' HG2' ' A' ' 12' ' ' GLN . . . -100.39 -172.89 29.71 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.036 -0.825 . . . . 9.01 111.036 172.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.61 -13.55 20.14 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.793 2.329 . . . . 10.91 113.379 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -107.47 -34.48 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 13.55 111.546 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.642 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 2.9 tp10 -74.27 125.81 89.6 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.154 -0.476 . . . . 9.91 110.848 -177.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.36 131.8 31.34 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.491 2.127 . . . . 9.95 111.845 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.592 ' H ' ' HB3' ' A' ' 76' ' ' GLN . 70.4 t80 -45.07 -60.09 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.699 0.629 . . . . 6.75 112.699 -173.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -61.15 -22.76 65.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.668 0.271 . . . . 13.72 111.681 -174.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.03 -43.95 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.78 -0.452 . . . . 11.24 109.78 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.642 ' CD1' ' HG2' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -71.01 -38.73 72.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 7.3 109.888 177.103 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 18' ' ' PHE . 88.1 t -63.96 -25.38 38.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.572 -0.74 . . . . 6.77 110.582 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 36.7 t70 -54.01 -47.34 71.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.324 -0.398 . . . . 11.68 110.856 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -26.76 23.51 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.604 -0.438 . . . . 11.36 110.898 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.452 ' CE2' HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -59.38 -37.9 79.15 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.581 0.705 . . . . 7.02 109.864 173.129 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.54 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 67.0 t80 -77.12 -31.42 55.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.431 -0.804 . . . . 11.44 110.065 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 29.6 mmmt -60.16 -49.45 77.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.551 -0.749 . . . . 13.47 111.395 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -65.99 -25.09 66.93 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.872 0.368 . . . . 9.35 110.595 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 25' ' ' PHE . 3.5 mm? -72.93 -25.6 61.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 9.09 110.836 176.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.623 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 24.4 mmm180 -74.72 -21.2 59.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.084 0.469 . . . . 14.19 110.472 178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.88 -46.95 61.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.065 -0.516 . . . . 11.93 110.621 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.454 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 11.6 pt-20 -87.46 46.46 1.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.98 -0.555 . . . . 10.89 111.775 -176.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.6 mm100 -56.38 -19.78 16.34 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.267 0.469 . . . . 11.52 112.267 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.36 -40.37 58.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.124 0.416 . . . . 11.97 112.124 -172.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.655 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 23.8 m -82.6 54.86 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.698 0.258 . . . . 12.02 111.698 -176.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -56.09 -44.45 79.04 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.352 0.501 . . . . 12.14 112.352 -174.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.85 -29.49 70.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.037 0.446 . . . . 14.44 110.829 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.4 t -80.21 -41.79 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.895 -0.593 . . . . 11.61 110.208 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.655 ' HG3' ' O ' ' A' ' 35' ' ' SER . 43.5 mtpt -59.39 -41.14 88.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.705 -0.679 . . . . 9.78 111.795 -175.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -55.67 -47.97 75.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 11.43 110.998 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.04 -27.06 35.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.192 -0.458 . . . . 11.43 111.054 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -72.3 -48.29 43.4 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.993 -0.549 . . . . 9.19 112.105 -176.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 p -57.66 -49.35 76.77 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.088 0.47 . . . . 7.35 111.841 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.01 -34.71 78.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.548 -0.751 . . . . 11.69 111.961 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -87.05 -40.4 14.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.856 0.36 . . . . 11.34 110.988 -177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 1.7 mm? -69.21 -47.37 64.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.597 -0.729 . . . . 8.22 112.418 -174.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 98.5 mt -61.69 -30.56 70.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.117 0.485 . . . . 5.99 110.148 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.44 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 51.0 t -82.03 -37.36 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.551 -0.75 . . . . 8.67 111.174 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -70.55 -46.44 63.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.494 -0.321 . . . . 12.22 110.625 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -87.47 16.2 5.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.043 -0.526 . . . . 8.3 111.573 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . -84.6 166.01 17.51 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.892 -0.41 . . . . 8.36 109.892 174.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.603 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 45.9 t30 -63.86 128.23 92.63 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.174 -0.676 . . . . 9.4 109.174 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.516 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 45.4 Cg_exo -37.35 -53.9 1.25 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.607 2.871 . . . . 11.66 113.677 -177.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.66 -42.16 92.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.475 0.655 . . . . 10.64 110.951 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.603 ' SG ' ' HB3' ' A' ' 52' ' ' ASN . 63.8 m -66.46 -44.78 81.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.815 -1.084 . . . . 8.04 111.839 -174.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -75.44 -23.29 56.91 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.254 -0.578 . . . . 10.04 110.398 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.567 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 49.0 m -65.59 -42.01 92.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.438 -0.801 . . . . 12.46 111.487 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.9 pt -75.01 -27.53 20.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 O-C-N 122.132 -0.355 . . . . 11.46 111.452 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 66.4 mt -52.52 -44.22 65.6 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 111.966 0.358 . . . . 11.84 111.966 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 57' ' ' THR . 9.9 ptmm? -73.89 -21.07 60.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 14.91 110.632 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.99 -12.62 60.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.066 -0.516 . . . . 15.64 110.826 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.8 mt -73.16 -27.42 61.65 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.403 -0.362 . . . . 15.72 110.538 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.04 -79.06 0.38 Allowed Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.488 -0.863 . . . . 16.17 112.932 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -79.77 8.19 4.15 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.965 2.444 . . . . 17.44 112.552 -176.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.27 23.11 66.41 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.639 -0.709 . . . . 15.83 111.485 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 69.41 111.06 0.05 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.611 0.719 . . . . 14.15 111.211 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.4 m -70.82 -78.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.076 -0.965 . . . . 15.45 111.898 -176.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 71' ' ' MET . 2.9 tm? -137.88 -64.43 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.734 -0.386 . . . . 12.22 110.869 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.0 -25.28 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.208 0.528 . . . . 16.53 109.663 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -64.48 -54.06 38.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.17 -0.923 . . . . 15.56 109.863 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 26.8 ptm -63.47 -30.39 71.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.916 -0.583 . . . . 10.3 110.563 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.501 ' HA ' ' CD2' ' A' ' 18' ' ' PHE . 58.5 ttp -73.83 -48.54 30.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.772 -0.649 . . . . 11.15 110.41 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.8 m -78.54 -38.25 40.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.169 -0.923 . . . . 12.02 112.09 -174.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 78' ' ' VAL . . . -66.39 -37.37 85.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.284 0.475 . . . . 9.32 112.284 -173.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.401 ' SG ' HD11 ' A' ' 59' ' ' LEU . 64.2 m -76.88 -32.69 57.65 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.948 0.351 . . . . 7.31 111.948 -175.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.592 ' HB3' ' H ' ' A' ' 18' ' ' PHE . 12.3 pt20 -86.64 116.38 24.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.272 0.558 . . . . 10.66 110.381 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.13 -12.96 58.85 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.141 -0.784 . . . . 8.85 111.141 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 74' ' ' ALA . 58.9 t 55.14 94.56 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 123.619 0.768 . . . . 8.24 111.412 -177.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.18 -14.68 28.28 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.31 -0.859 . . . . 10.49 111.436 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.01 128.98 5.94 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.912 -0.661 . . . . 10.42 112.409 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.41 3.53 4.1 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.815 2.343 . . . . 12.1 112.343 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.12 -2.38 88.85 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.045 -0.598 . . . . 11.07 111.978 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -75.83 138.09 40.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.693 -0.855 . . . . 10.71 108.693 173.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.505 ' O ' HG12 ' A' ' 87' ' ' VAL . 54.2 tptt -112.21 -70.02 0.83 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.705 -0.398 . . . . 12.21 110.863 178.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.98 79.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.865 0.364 . . . . 8.99 111.646 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -81.25 -21.62 39.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.965 0.357 . . . . 10.56 111.965 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 84' ' ' LYS . 5.5 p -85.12 -35.66 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.198 -0.601 . . . . 7.9 110.443 -178.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 89' ' ' ALA . 4.4 pp -71.67 -39.02 70.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.025 0.44 . . . . 8.66 109.983 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.413 ' N ' HD12 ' A' ' 88' ' ' LEU . . . -67.61 -32.47 73.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.822 -0.626 . . . . 7.41 110.057 175.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.35 -43.39 64.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.654 -0.703 . . . . 8.34 111.096 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.53 73.78 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.645 0.736 . . . . 7.39 109.696 -175.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 13.9 tpt -69.57 -43.98 71.77 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.616 -1.174 . . . . 10.32 110.195 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.8 t -72.11 -30.4 65.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.645 -0.707 . . . . 9.14 111.014 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -64.96 -25.68 67.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.134 0.492 . . . . 9.08 111.174 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.49 -28.63 10.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.87 -0.605 . . . . 10.49 110.991 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 p -95.28 -15.92 22.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.981 0.42 . . . . 11.8 111.801 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -75.71 150.98 84.55 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.322 -0.399 . . . . 11.34 110.312 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -71.62 44.1 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.109 2.54 . . . . 12.7 112.145 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.27 -15.75 63.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.847 -0.615 . . . . 11.25 110.347 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.4 p -71.24 -40.04 71.3 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.707 -0.679 . . . . 10.63 110.252 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.0 pt -86.07 -21.51 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.867 -0.606 . . . . 12.53 110.375 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.417 ' O ' ' HB3' ' A' ' 105' ' ' LYS . 54.6 ttp -66.1 -41.71 90.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.916 -0.584 . . . . 13.25 110.721 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.0 tt -68.86 -29.14 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.999 0.428 . . . . 11.41 110.341 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -68.67 -25.68 64.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.262 0.553 . . . . 11.93 110.039 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 102' ' ' MET . 29.4 tptp -71.95 -27.39 62.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.542 -0.754 . . . . 14.37 109.515 174.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.64 -30.51 43.99 Favored Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 111.134 -0.786 . . . . 12.03 111.134 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -68.64 -16.74 63.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.718 0.294 . . . . 12.33 110.436 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.35 -26.02 64.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 14.51 110.689 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -64.93 -25.26 67.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.108 0.48 . . . . 15.12 110.419 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -96.15 -18.58 20.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.904 -0.589 . . . . 13.93 110.246 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.405 ' HA ' HG22 ' A' ' 114' ' ' THR . 80.5 mt-30 -69.64 88.93 0.52 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.793 -0.64 . . . . 14.01 110.939 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.447 ' O ' HG12 ' A' ' 115' ' ' VAL . 29.8 mmt180 -112.91 -55.97 2.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.163 -0.471 . . . . 14.43 110.238 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -84.02 -31.06 25.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.215 0.531 . . . . 12.41 110.502 174.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.637 ' HA ' ' CD2' ' A' ' 125' ' ' HIS . 12.9 t -85.75 -13.3 48.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.75 -0.659 . . . . 10.8 111.812 -176.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.51 HG13 ' HG3' ' A' ' 116' ' ' LYS . 14.7 p -57.65 -43.73 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.893 0.377 . . . . 11.44 111.436 -176.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.571 ' HA ' ' H ' ' A' ' 122' ' ' LYS . 36.4 mtmm -97.89 109.06 21.88 Favored 'General case' 0 C--O 1.205 -1.243 0 N-CA-C 108.564 -0.902 . . . . 10.72 108.564 174.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.725 ' SG ' ' HB3' ' A' ' 125' ' ' HIS . 40.1 t -137.53 151.48 48.46 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 122.581 0.352 . . . . 8.16 111.665 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 119' ' ' ASN . 7.6 t80 -86.89 61.15 6.64 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.734 -1.21 . . . . 7.76 107.734 168.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 118' ' ' PHE . 41.3 t30 164.89 -64.45 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.353 -1.294 . . . . 8.9 110.889 -176.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 13.5 p -102.37 28.27 6.07 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.365 0.602 . . . . 9.54 110.287 -170.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 169.62 -116.94 0.68 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.682 -0.771 . . . . 9.05 113.058 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.692 ' N ' ' H ' ' A' ' 117' ' ' CYS . 5.5 tmtt? -102.19 -67.81 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.432 0.901 . . . . 12.7 113.432 -171.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -155.44 -62.05 0.11 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.403 1.26 . . . . 12.54 114.403 -175.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.479 ' H ' ' HB3' ' A' ' 116' ' ' LYS . . . -80.08 49.53 3.77 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 115.665 1.026 . . . . 11.83 115.665 -162.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.725 ' HB3' ' SG ' ' A' ' 117' ' ' CYS . 22.6 t-80 -130.04 -175.53 3.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.102 -1.073 . . . . 11.94 108.102 174.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.521 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -120.14 96.79 4.53 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-O 121.491 0.662 . . . . 12.22 109.798 -177.575 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.566 ' HA ' ' SG ' ' A' ' 130' ' ' CYS . . . -49.64 -20.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.984 -1.007 . . . . 9.79 112.724 176.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.428 ' HG2' ' HB ' ' A' ' 126' ' ' ILE . 19.9 ptpt -77.02 -17.9 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.803 0.297 . . . . 13.15 111.803 -176.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.44 HD22 HG13 ' A' ' 126' ' ' ILE . 93.3 m-20 -114.88 -5.03 12.57 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.314 0.487 . . . . 14.48 112.314 -175.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' A' ' 127' ' ' ALA . 2.5 p -104.99 144.84 31.26 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.284 -0.566 . . . . 11.41 110.918 176.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.441 ' N ' ' HD3' ' A' ' 131' ' ' ARG . 0.3 OUTLIER -100.18 99.5 10.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.809 -0.632 . . . . 17.31 109.488 -178.586 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -163.42 116.47 1.07 Allowed Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.963 -0.562 . . . . 11.89 110.499 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.08 40.3 0.92 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.811 2.34 . . . . 13.32 111.987 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -90.4 -25.68 20.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.074 -0.512 . . . . 12.3 110.532 -176.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -71.9 94.18 1.42 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.567 0.698 . . . . 10.11 110.063 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -119.59 13.82 12.59 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.719 -1.128 . . . . 11.69 109.092 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.521 ' HA3' ' O ' ' A' ' 146' ' ' HIS . . . 106.08 -82.94 0.34 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.556 -1.018 . . . . 9.53 110.556 -172.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' A' ' 146' ' ' HIS . 75.1 m -90.97 144.06 26.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.822 0.344 . . . . 12.01 110.188 174.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 6.6 m-90 -103.21 -1.4 28.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.237 -0.438 . . . . 11.32 110.704 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -112.65 -56.56 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.382 . . . . 16.11 110.993 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.88 -1.03 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.103 -0.499 . . . . 13.97 111.688 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.633 ' CA ' ' HB2' ' A' ' 138' ' ' CYS . . . -67.26 -62.22 4.58 Favored Glycine 0 CA--C 1.504 -0.637 0 C-N-CA 120.407 -0.901 . . . . 12.26 112.313 -173.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt 61.18 -73.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 123.493 0.717 . . . . 15.88 111.203 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -115.2 -34.62 4.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.302 -0.408 . . . . 14.2 110.105 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' A' ' 146' ' ' HIS . . . -130.02 -143.34 5.39 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.388 -0.91 . . . . 13.35 113.37 -173.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.635 ' HB3' ' SG ' ' A' ' 138' ' ' CYS . 34.4 m170 73.25 129.44 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.683 0.754 . . . . 14.96 111.045 -174.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 148' ' ' MET . 21.8 mp0 -85.81 -8.18 58.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.58 -0.736 . . . . 15.24 110.437 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.4 ' HB3' ' O ' ' A' ' 147' ' ' GLN . 22.6 ttt 70.96 -54.73 0.66 Allowed 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.989 0.806 . . . . 13.85 111.011 -177.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -64.72 -33.55 76.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.029 0.443 . . . . 16.38 111.272 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -93.62 -8.6 40.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.377 0.608 . . . . 17.63 110.089 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 44.2 t -86.09 110.83 19.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.773 -0.649 . . . . 15.97 110.927 -174.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 26.2 m -103.26 114.05 28.03 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.222 -0.658 . . . . 18.95 109.222 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.8 109.73 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.07 0.462 . . . . 19.35 110.693 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -95.88 103.85 15.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.924 -0.58 . . . . 23.48 110.078 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -74.73 132.59 41.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.889 -0.596 . . . . 22.51 110.586 -178.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -91.52 108.61 20.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.081 -0.509 . . . . 23.3 110.251 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.72 -0.657 . . . . 24.3 110.299 -178.084 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.009 -0.367 . . . . 20.97 110.009 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 64.77 -82.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.677 0.61 . . . . 22.1 111.77 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p 46.26 92.72 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.412 0 C-N-CA 123.837 0.855 . . . . 17.23 112.33 -177.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.29 37.62 0.56 Allowed 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.728 2.286 . . . . 15.76 112.357 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.5 m -64.16 -45.41 88.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.83 -0.623 . . . . 15.79 111.406 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 10' ' ' ILE . 20.0 m -59.26 -15.97 18.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.119 -0.491 . . . . 13.32 111.883 -176.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.8 mp -81.88 -50.68 16.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.525 -0.307 . . . . 12.15 110.636 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.74 -28.87 24.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.072 0.463 . . . . 13.09 111.498 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 11' ' ' ARG . 25.1 t70 -90.39 27.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.9 -0.591 . . . . 12.54 110.942 -174.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.458 HG23 ' O ' ' A' ' 6' ' ' SER . 1.7 pp -69.23 10.54 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 116.204 -0.453 . . . . 8.74 112.033 177.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.565 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 1.1 ppt_? -70.94 144.84 50.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.107 -0.497 . . . . 13.19 109.908 176.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' HG3' ' H ' ' A' ' 13' ' ' GLY . 12.0 tp60 -140.56 172.49 12.64 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.133 -0.627 . . . . 8.1 112.471 -170.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.505 ' HA2' ' HB2' ' A' ' 52' ' ' ASN . . . -113.3 -177.64 19.48 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 114.977 -1.01 . . . . 9.01 111.449 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.64 0.8 9.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 10.91 112.279 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -99.25 7.55 45.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.519 -0.764 . . . . 13.55 111.137 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -120.93 128.98 25.51 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.365 -0.38 . . . . 9.91 110.293 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 42.9 Cg_exo -57.62 138.01 84.05 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.909 2.406 . . . . 9.95 112.929 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.616 ' HA ' ' CE1' ' A' ' 21' ' ' TYR . 76.6 t80 -45.02 -61.18 1.72 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.651 0.594 . . . . 6.75 111.896 -175.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.95 -15.03 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 13.72 111.784 -172.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.82 -48.41 16.57 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.397 -0.223 . . . . 11.24 110.397 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.616 ' CE1' ' HA ' ' A' ' 18' ' ' PHE . 28.5 p90 -81.08 -17.16 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.504 0.668 . . . . 7.3 111.107 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 18' ' ' PHE . 99.2 t -78.49 -24.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 115.571 -0.741 . . . . 6.77 109.403 172.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.74 -39.84 84.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.282 0.563 . . . . 11.68 109.918 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.609 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -72.6 -37.92 67.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.296 -0.865 . . . . 11.36 109.512 178.653 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.57 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 36.3 t80 -62.46 -32.67 73.59 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.183 -0.917 . . . . 7.02 110.782 175.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -84.18 -19.02 34.77 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.853 -0.339 . . . . 11.44 110.757 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.609 ' HD2' ' HA ' ' A' ' 24' ' ' ARG . 11.4 ptmt -75.67 -25.06 56.44 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.087 0.47 . . . . 13.47 109.986 -176.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.575 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 7.7 t -85.1 -29.53 24.78 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.092 -0.504 . . . . 9.35 110.021 172.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 80.8 mt -73.44 -36.2 65.87 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.295 -0.411 . . . . 9.09 110.981 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -69.57 -23.76 63.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.281 0.562 . . . . 14.19 110.055 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.03 -56.23 5.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.405 -0.816 . . . . 11.93 109.939 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.6 pt-20 -87.93 39.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.166 0.507 . . . . 10.89 110.556 176.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -68.14 -8.98 43.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 11.52 111.834 -175.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.37 -56.66 18.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 11.97 110.788 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -83.89 97.69 9.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.035 0.445 . . . . 12.02 110.558 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -72.43 -26.13 61.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.986 0.422 . . . . 12.14 110.574 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.03 -40.29 87.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.674 . . . . 14.44 111.038 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.6 t -68.85 -39.85 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.18 -0.464 . . . . 11.61 110.502 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -61.34 -44.26 97.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.117 0.484 . . . . 9.78 110.697 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -58.01 -49.08 78.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.5 -0.773 . . . . 11.43 110.926 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.27 85.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.077 -0.51 . . . . 11.43 110.988 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -65.17 -50.65 65.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.964 -0.562 . . . . 9.19 111.439 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 p -57.6 -33.17 67.93 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.542 0.571 . . . . 7.35 112.542 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -85.12 -59.64 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.452 0.538 . . . . 11.69 112.452 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.7 m -83.91 -36.75 23.1 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.391 0.515 . . . . 11.34 112.391 -172.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 2.7 tm? -88.15 -39.69 14.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.309 -0.405 . . . . 8.22 111.096 -171.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' A' ' 25' ' ' PHE . 63.8 tp -62.69 -37.33 86.01 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.905 0.383 . . . . 5.99 111.14 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.7 -26.6 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.074 0.464 . . . . 8.67 110.305 176.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -66.87 -48.83 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.978 -0.555 . . . . 12.22 110.773 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.478 ' OD1' ' HA ' ' A' ' 47' ' ' LEU . 3.2 p-10 -78.59 1.06 23.89 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.239 -0.437 . . . . 8.3 111.336 -177.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.45 153.31 21.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.624 -0.51 . . . . 8.36 109.624 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.505 ' HB2' ' HA2' ' A' ' 13' ' ' GLY . 8.7 t30 -66.87 137.12 94.66 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.125 -0.489 . . . . 9.4 109.884 176.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -37.09 -49.61 1.58 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 124.081 3.187 . . . . 11.66 114.136 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -63.42 -29.45 70.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.046 0.451 . . . . 10.64 111.772 -174.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 24.8 m -83.48 -42.89 16.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.805 -0.634 . . . . 8.04 111.181 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -77.19 -34.78 56.15 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.292 -0.413 . . . . 10.04 111.714 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.3 t -56.59 -32.34 65.14 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.374 -0.376 . . . . 12.46 111.395 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.5 pt -85.6 -38.13 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.718 -0.393 . . . . 11.46 110.985 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.9 mt -50.68 -46.36 58.66 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.027 0.38 . . . . 11.84 112.027 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -71.03 -25.22 62.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.294 -0.412 . . . . 14.91 111.475 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.41 -33.09 23.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.132 0.492 . . . . 15.64 110.397 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 66' ' ' ALA . 84.1 mt -73.12 -43.06 62.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.639 -0.71 . . . . 15.72 111.473 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.406 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -27.29 -60.97 0.1 OUTLIER Glycine 0 N--CA 1.467 0.75 0 O-C-N 124.365 1.041 . . . . 16.17 115.492 -174.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 63' ' ' GLY . 3.9 Cg_endo -46.17 -56.44 2.89 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.298 2.666 . . . . 17.44 114.179 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.63 -12.61 37.4 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.158 -1.02 . . . . 15.83 113.105 -174.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 62' ' ' LEU . . . -97.25 133.47 41.84 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.269 0.556 . . . . 14.15 111.53 -176.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.2 p -87.38 -179.63 6.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.372 -0.831 . . . . 15.45 109.526 172.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.6 -45.95 88.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.643 0.258 . . . . 12.22 110.381 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 9.3 pt-20 -60.49 -42.24 95.91 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.392 0.516 . . . . 16.53 112.392 -174.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.447 ' HG3' ' HB1' ' A' ' 66' ' ' ALA . 11.4 pt-20 -84.95 -20.66 30.28 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.311 -0.556 . . . . 15.56 111.765 -172.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.8 ptp -84.95 -30.56 24.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.827 -0.434 . . . . 10.3 109.827 173.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.411 ' HG3' ' HB3' ' A' ' 18' ' ' PHE . 54.3 ttp -64.97 -51.25 62.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.74 -0.663 . . . . 11.15 109.975 175.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.3 m -66.28 -22.88 66.31 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.144 -0.935 . . . . 12.02 110.913 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.48 -28.57 52.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.021 -0.536 . . . . 9.32 111.98 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 65.8 m -97.24 -13.17 22.18 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.844 0.312 . . . . 7.31 111.844 -175.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 4.0 pp0? -80.09 116.64 20.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.279 0.562 . . . . 10.66 109.934 176.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.51 58.59 9.05 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.858 -0.687 . . . . 8.85 111.784 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.3 t -61.21 110.31 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.547 -0.538 . . . . 8.24 109.547 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 83' ' ' HIS . . . 111.22 3.65 27.63 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.596 -0.811 . . . . 10.49 111.864 -175.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 86' ' ' ARG . . . -79.53 -88.25 0.5 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.58 -0.819 . . . . 10.42 112.292 175.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.97 134.34 61.67 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.792 2.328 . . . . 12.1 112.539 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.52 -6.24 82.77 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.078 -0.582 . . . . 11.07 112.179 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 79' ' ' GLY . 45.6 m-70 -125.59 158.3 34.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.804 -0.443 . . . . 10.71 109.804 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -86.8 -7.3 58.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.908 0.385 . . . . 12.21 110.438 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.68 ' O ' ' HG ' ' A' ' 88' ' ' LEU . . . -64.67 -20.36 66.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.203 0.525 . . . . 8.99 110.232 175.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 80' ' ' GLY . 73.8 ttt180 -62.55 -19.25 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.794 -0.639 . . . . 10.56 110.958 178.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.2 t -77.83 -39.54 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.175 0.512 . . . . 7.9 109.929 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 85' ' ' ALA . 4.0 pp -77.49 -36.88 52.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.729 -0.668 . . . . 8.66 109.473 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.61 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.419 -0.809 . . . . 7.41 110.387 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -63.62 -36.89 85.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 8.34 110.731 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.58 -33.63 31.49 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.296 0.569 . . . . 7.39 109.906 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.504 ' HA ' HG22 ' A' ' 95' ' ' VAL . 59.6 mtt -68.96 -20.56 64.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.348 -0.842 . . . . 10.32 110.41 176.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.3 t -58.79 -32.21 69.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.931 0.395 . . . . 9.14 110.485 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -78.13 -34.61 49.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 9.08 111.072 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 92' ' ' MET . 17.6 m -80.96 -22.7 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.524 -0.47 . . . . 10.49 111.265 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.0 p -93.64 9.91 34.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.114 0.483 . . . . 11.8 110.694 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -60.73 137.83 93.2 Favored Pre-proline 0 N--CA 1.453 -0.289 0 N-CA-C 108.879 -0.786 . . . . 11.34 108.879 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.86 -16.57 38.88 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.8 2.333 . . . . 12.7 113.494 -174.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.03 -25.53 27.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.234 0.54 . . . . 11.25 110.205 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.6 m -87.47 -49.73 7.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.718 -0.674 . . . . 10.63 110.675 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 28.5 pt -65.83 -26.78 39.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.021 -0.536 . . . . 12.53 111.077 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.2 ttt -64.35 -35.01 79.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 13.25 110.647 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 47.7 mm -71.66 -53.88 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.898 -0.592 . . . . 11.41 110.754 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.33 -26.01 67.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 11.93 110.752 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 109' ' ' ARG . 23.5 tptm -63.29 -31.03 72.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.239 -0.437 . . . . 14.37 110.419 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.85 -50.51 66.92 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.046 -0.597 . . . . 12.03 112.376 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 3.2 p-10 -81.63 -17.37 48.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.704 0.287 . . . . 12.33 110.511 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -69.85 -22.95 63.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.041 0.448 . . . . 14.51 109.949 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 83.6 mtm180 -61.84 -54.8 37.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.776 -0.647 . . . . 15.12 109.956 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -154.03 129.87 10.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.923 -0.581 . . . . 13.93 109.525 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 107' ' ' ASN . 52.5 tp60 -160.41 121.43 3.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.141 -0.481 . . . . 14.01 109.85 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 62.17 -174.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.132 0.492 . . . . 14.43 110.504 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 66.1 mttm -83.6 34.06 0.48 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.444 -0.344 . . . . 12.41 111.588 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.4 t -71.86 -13.3 61.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.185 0.516 . . . . 10.8 110.695 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.78 -8.17 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 115.539 -0.755 . . . . 11.44 111.682 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 18.9 ptpt -91.84 136.48 33.12 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.929 -0.767 . . . . 10.72 108.929 173.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.49 110.2 5.94 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.775 -0.37 . . . . 8.16 111.53 -174.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.476 ' HB3' ' HB3' ' A' ' 136' ' ' LYS . 79.9 m-85 -77.12 65.64 2.78 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.756 -0.656 . . . . 7.76 110.104 175.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.401 ' OD1' ' HB3' ' A' ' 132' ' ' ALA . 65.2 t30 -176.46 -60.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.27 -0.423 . . . . 8.9 111.286 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 26.3 p -99.28 22.85 9.98 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 120.946 0.403 . . . . 9.54 111.349 -173.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 133.64 -96.28 0.29 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.523 -0.846 . . . . 9.05 112.622 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.7 pttm 179.16 32.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.315 0.579 . . . . 12.7 109.803 -175.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.37 -178.25 4.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.705 -0.679 . . . . 12.54 110.282 -173.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -76.47 54.36 3.24 Favored Glycine 0 N--CA 1.452 -0.281 0 O-C-N 123.662 0.601 . . . . 11.83 112.063 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -127.17 162.94 24.95 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.228 -1.027 . . . . 11.94 108.228 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.701 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -112.24 131.11 64.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.149 0.5 . . . . 12.22 110.712 -177.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.5 -18.87 65.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.69 -0.686 . . . . 9.79 110.691 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -63.03 -34.24 77.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.772 -0.649 . . . . 13.15 110.781 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -116.81 30.46 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.852 -0.613 . . . . 14.48 110.224 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 4.1 t -115.91 151.98 34.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.874 -0.603 . . . . 11.41 109.378 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.69 120.71 17.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.044 0.449 . . . . 17.31 110.907 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.401 ' HB3' ' OD1' ' A' ' 119' ' ' ASN . . . -162.81 139.42 5.81 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.502 -0.772 . . . . 11.89 109.12 177.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -77.91 21.49 0.65 Allowed 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.622 2.215 . . . . 13.32 113.45 -173.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -120.83 -25.87 5.34 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.142 0.423 . . . . 12.3 112.142 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt 60.26 -166.15 0.2 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.08 0.467 . . . . 10.11 111.173 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.593 ' HG2' ' H ' ' A' ' 137' ' ' GLY . 0.0 OUTLIER -90.03 -86.44 0.2 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.142 -0.481 . . . . 11.69 110.685 -179.222 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.593 ' H ' ' HG2' ' A' ' 136' ' ' LYS . . . 62.86 -103.71 0.68 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.948 -0.644 . . . . 9.53 111.941 -174.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.446 ' HB3' ' HB2' ' A' ' 141' ' ' CYS . 9.1 m -147.67 150.64 34.74 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 109.066 -0.716 . . . . 12.01 109.066 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.843 ' H ' ' HB2' ' A' ' 146' ' ' HIS . 5.1 m0 -127.0 -55.77 1.36 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.296 0.569 . . . . 11.32 110.338 -169.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.806 ' HG3' ' SD ' ' A' ' 148' ' ' MET . 27.7 tptp -75.15 -26.75 59.37 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.133 -1.432 . . . . 16.11 107.133 172.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 146' ' ' HIS . 0.0 OUTLIER -93.89 18.18 10.89 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 113.551 -1.658 . . . . 13.97 109.186 171.014 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -171.03 -92.55 0.08 OUTLIER Glycine 0 CA--C 1.523 0.549 0 CA-C-N 115.798 -0.637 . . . . 12.26 112.957 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.659 ' H ' ' HA ' ' A' ' 139' ' ' TRP . 46.8 tptt -67.19 -100.34 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 112.671 0.619 . . . . 15.88 112.671 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -118.64 -39.03 3.03 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.104 1.52 . . . . 14.2 115.104 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.67 ' H ' ' HB3' ' A' ' 139' ' ' TRP . . . -158.78 109.71 0.41 Allowed Glycine 0 CA--C 1.527 0.803 0 C-N-CA 119.624 -1.274 . . . . 13.35 114.725 -176.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.843 ' HB2' ' H ' ' A' ' 139' ' ' TRP . 3.6 t-80 -119.23 -168.16 1.52 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 107.459 -1.312 . . . . 14.96 107.459 177.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 149' ' ' LYS . 23.8 mm-40 -67.81 -47.73 68.26 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.745 -0.835 . . . . 15.24 108.745 172.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.806 ' SD ' ' HG3' ' A' ' 140' ' ' LYS . 17.3 ttt 52.46 -58.46 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.721 1.608 . . . . 13.85 114.76 178.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 147' ' ' GLN . 21.0 pttm -64.15 -41.64 97.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.565 0.698 . . . . 16.38 110.045 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -110.66 20.49 17.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.052 -0.976 . . . . 17.63 109.628 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' CYS . . . . . 0.553 ' HB2' ' N ' ' A' ' 148' ' ' MET . 45.6 t -73.66 82.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.615 -0.72 . . . . 15.97 109.743 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 12.2 p -98.05 132.52 43.53 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.509 -0.769 . . . . 18.95 109.912 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -52.18 123.35 10.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.839 -0.618 . . . . 19.35 109.762 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -71.65 76.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.009 -0.542 . . . . 23.48 111.693 -173.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -73.81 110.07 7.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.497 -0.774 . . . . 22.51 109.592 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -73.0 102.36 3.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.202 -0.454 . . . . 23.3 111.263 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.614 -0.708 . . . . 24.3 109.913 176.642 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.794 0.331 . . . . 20.97 111.345 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -127.9 45.48 2.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.379 0.609 . . . . 22.1 110.452 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.471 ' HB3' HD21 ' A' ' 8' ' ' LEU . 70.4 m -127.69 83.1 66.98 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.281 -0.872 . . . . 17.23 110.11 178.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.473 ' HG2' HD13 ' A' ' 7' ' ' ILE . 73.7 Cg_endo -73.96 153.71 47.46 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.476 2.117 . . . . 15.76 112.798 -177.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.7 m -55.75 -58.29 8.43 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 113.543 0.942 . . . . 15.79 113.543 -167.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 m -59.03 -20.58 54.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.169 0.433 . . . . 13.32 112.169 -173.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.473 HD13 ' HG2' ' A' ' 4' ' ' PRO . 1.7 mp -82.09 -39.2 16.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.328 -0.396 . . . . 12.15 110.386 -176.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 3' ' ' SER . 4.0 mm? -79.14 -19.38 51.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.404 . . . . 13.09 110.884 177.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.82 -4.6 59.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.509 -0.314 . . . . 12.54 111.079 175.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 32.15 58.33 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 124.335 1.054 . . . . 8.74 113.167 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -135.26 163.72 29.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.288 0.566 . . . . 13.19 111.401 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.507 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 8.2 tt0 -97.62 136.36 38.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.938 -1.028 . . . . 8.1 110.707 -175.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.41 -170.98 25.83 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.254 -0.738 . . . . 9.01 111.254 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.85 -20.55 39.19 Favored 'Trans proline' 0 CA--C 1.527 0.159 0 C-N-CA 122.522 2.148 . . . . 10.91 113.004 -176.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -119.29 8.77 11.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.524 -0.307 . . . . 13.55 111.31 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.8 tp10 -98.0 124.07 48.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.337 -0.392 . . . . 9.91 110.625 -176.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 16' ' ' GLU . 11.5 Cg_exo -70.93 148.69 58.03 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.469 2.113 . . . . 9.95 112.506 176.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.535 ' HB2' ' HB2' ' A' ' 75' ' ' CYS . 50.7 t80 -51.45 -60.73 2.81 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.777 0.322 . . . . 6.75 111.427 -178.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -66.11 -2.19 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 13.72 112.288 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.572 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 12.5 t70 -89.32 -54.84 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.582 -0.525 . . . . 11.24 109.582 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -74.26 -28.92 61.44 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.625 -0.43 . . . . 7.3 110.263 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.502 HG22 HD11 ' A' ' 47' ' ' LEU . 66.2 t -65.35 -27.63 42.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.312 0.577 . . . . 6.77 109.557 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.572 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 2.4 t70 -62.48 -45.11 94.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.511 -0.768 . . . . 11.68 109.565 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' HD3' ' O ' ' A' ' 20' ' ' ASP . 5.5 mpt_? -67.22 -49.13 65.66 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.197 -0.91 . . . . 11.36 108.942 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 59.2 t80 -53.52 -34.38 57.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.713 -1.13 . . . . 7.02 111.77 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -87.67 -43.06 12.21 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 120.942 0.401 . . . . 11.44 110.363 -171.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -82.55 -20.64 36.2 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.467 -0.493 . . . . 13.47 111.522 -173.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.9 p -81.57 -29.42 33.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 9.35 109.827 172.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -61.53 -36.12 79.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.398 -0.819 . . . . 9.09 109.328 177.45 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -78.28 -20.78 50.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.364 -0.834 . . . . 14.19 110.41 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.06 -36.22 59.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 11.93 110.732 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.42 -154.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 10.89 109.844 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -59.84 104.87 0.33 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.473 0.654 . . . . 11.52 111.18 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.36 -19.46 60.43 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.691 -1.141 . . . . 11.97 112.094 -176.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -49.52 108.83 0.22 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.225 0.535 . . . . 12.02 111.161 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.52 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . 78.5 mt-30 -70.81 -25.04 62.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.565 -0.743 . . . . 12.14 112.437 -171.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -49.08 -45.41 43.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.354 0.501 . . . . 14.44 112.354 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.8 t -87.16 -36.25 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.4 0.619 . . . . 11.61 110.37 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.539 ' HD2' HD21 ' A' ' 29' ' ' LEU . 45.5 mmtm -71.73 -38.49 70.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.369 -0.832 . . . . 9.78 112.705 -170.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.52 ' ND2' ' HB3' ' A' ' 36' ' ' GLN . 94.2 m-20 -61.51 -48.63 80.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.561 0.22 . . . . 11.43 110.657 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.85 -31.89 71.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 11.43 111.061 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.34 -61.0 2.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.266 -0.425 . . . . 9.19 111.069 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.8 p -50.2 -38.29 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.57 0.952 . . . . 7.35 113.57 -172.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -52.15 -58.08 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.661 0.267 . . . . 11.69 111.66 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 p -84.57 -29.29 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.967 0.413 . . . . 11.34 111.826 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.49 -35.84 79.93 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.376 -0.375 . . . . 8.22 110.807 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.502 HD11 HG22 ' A' ' 22' ' ' VAL . 54.3 tp -65.7 -44.62 85.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.546 0.212 . . . . 5.99 111.291 -178.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 34.9 m -71.3 -28.39 32.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-O 120.89 0.376 . . . . 8.67 110.796 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -71.13 -21.46 62.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.11 -0.495 . . . . 12.22 110.671 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -95.81 20.48 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.015 -0.539 . . . . 8.3 111.37 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.507 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -93.61 -179.42 5.02 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.305 -0.558 . . . . 8.36 109.89 177.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.58 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 17.8 t-20 -76.01 139.9 69.69 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.604 -0.517 . . . . 9.4 109.604 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -38.92 -52.91 2.08 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.25 2.634 . . . . 11.66 113.211 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.615 ' O ' ' HB ' ' A' ' 57' ' ' THR . 5.1 t70 -69.29 -39.16 78.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 10.64 110.431 -177.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.623 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 81.0 m -64.19 -43.85 93.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.416 -0.811 . . . . 8.04 110.806 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HG3' ' HB3' ' A' ' 51' ' ' ALA . 4.7 mtpm? -60.82 -38.86 86.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.414 0.626 . . . . 10.04 109.416 175.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.615 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 85.5 m -55.01 -41.56 71.43 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.436 -1.256 . . . . 12.46 111.845 178.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.595 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 43.9 pt -86.4 -36.19 10.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 121.028 -0.269 . . . . 11.46 111.236 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 55.0 mt -55.71 -40.66 72.72 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.534 -0.303 . . . . 11.84 111.764 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -73.51 -19.01 61.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.893 0.378 . . . . 14.91 111.159 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.29 -41.78 19.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.345 -0.389 . . . . 15.64 110.964 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 1.9 pp -98.95 -11.61 21.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.984 0.364 . . . . 15.72 111.984 -176.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.505 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -42.48 -54.48 4.78 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.192 -0.782 . . . . 16.17 114.765 -177.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 63' ' ' GLY . 2.2 Cg_endo -42.46 -47.97 7.15 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.564 2.843 . . . . 17.44 113.883 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.12 -13.43 36.52 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.557 -0.83 . . . . 15.83 112.947 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.68 123.41 37.0 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.264 0.554 . . . . 14.15 111.646 -176.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.3 p -81.05 -177.44 6.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.746 -0.661 . . . . 15.45 110.385 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -56.89 -42.73 80.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.903 0.383 . . . . 12.22 110.539 -176.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.86 -29.58 61.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.48 -0.327 . . . . 16.53 111.795 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.83 -48.13 55.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.343 0.592 . . . . 15.56 109.798 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.496 ' HB2' HD22 ' A' ' 59' ' ' LEU . 27.2 ptm -66.66 -23.54 66.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.211 -0.904 . . . . 10.3 110.321 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 40.2 ttm -65.41 -47.1 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.708 -0.678 . . . . 11.15 109.777 173.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.7 m -66.29 -34.72 78.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.257 -0.883 . . . . 12.02 110.882 176.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 78' ' ' VAL . . . -59.68 -38.65 82.1 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.477 0.547 . . . . 9.32 112.477 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 54.1 m -81.01 -41.99 21.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.736 0.303 . . . . 7.31 111.51 -176.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -71.3 116.08 11.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.176 0.512 . . . . 10.66 110.042 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.93 5.61 61.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.995 -0.621 . . . . 8.85 111.735 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 74' ' ' ALA . 36.7 t 46.55 82.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 123.812 0.845 . . . . 8.24 111.623 -176.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.22 6.27 51.53 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.399 -0.818 . . . . 10.49 112.476 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.68 131.0 2.44 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.739 -0.743 . . . . 10.42 112.136 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.77 56.94 4.86 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.213 2.609 . . . . 12.1 112.897 -178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.39 20.98 0.21 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.021 -0.609 . . . . 11.07 111.8 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -90.88 132.54 35.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.059 0.456 . . . . 10.71 110.83 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.509 ' O ' HG22 ' A' ' 87' ' ' VAL . 18.5 ptmt -88.31 16.68 5.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.954 -0.567 . . . . 12.21 110.799 -178.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.743 ' O ' ' HG ' ' A' ' 88' ' ' LEU . . . -59.91 -19.1 49.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.705 -0.68 . . . . 8.99 110.83 176.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.555 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 28.6 ttp180 -54.34 -37.18 64.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 10.56 111.136 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 84' ' ' LYS . 15.1 m -71.07 -25.97 26.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 121.148 0.499 . . . . 7.9 110.718 -171.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' ' 85' ' ' ALA . 3.5 pp -87.59 -34.51 18.51 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.797 -0.638 . . . . 8.66 109.482 177.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.15 77.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.514 -0.766 . . . . 7.41 110.579 175.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 42.8 mt-10 -62.16 -30.42 71.03 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.977 -0.556 . . . . 8.34 110.384 176.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.523 ' O ' HG13 ' A' ' 95' ' ' VAL . . . -82.38 -37.56 25.42 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.005 -0.543 . . . . 7.39 110.085 177.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 88' ' ' LEU . 97.2 mmm -62.93 -32.87 74.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.296 -0.865 . . . . 10.32 111.037 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 t -83.27 -20.42 34.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.911 0.386 . . . . 9.14 110.349 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -83.94 -30.71 26.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 9.08 111.321 -176.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 91' ' ' ALA . 34.2 m -58.8 -19.38 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 112.073 0.398 . . . . 10.49 112.073 -178.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 37.1 p -56.16 -27.48 54.44 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.156 0.503 . . . . 11.8 111.018 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -123.56 88.24 51.87 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.748 -0.66 . . . . 11.34 109.376 177.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -70.74 -9.53 25.95 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.895 2.397 . . . . 12.7 112.428 -176.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.39 73.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.116 -0.493 . . . . 11.25 111.199 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 p -85.27 -45.18 12.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.072 -0.513 . . . . 10.63 111.395 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.59 -26.33 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.081 -0.509 . . . . 12.53 112.003 -175.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.5 ttm -76.37 -35.35 58.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.683 0.278 . . . . 13.25 111.053 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.23 -56.61 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.799 0.333 . . . . 11.41 110.619 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -63.55 -25.97 68.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.759 -0.655 . . . . 11.93 111.475 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -67.79 -26.65 66.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.924 0.392 . . . . 14.37 110.57 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.62 -63.62 1.68 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.556 -0.831 . . . . 12.03 113.209 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -87.5 -46.45 9.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.762 0.653 . . . . 12.33 112.762 -173.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -72.7 -39.32 67.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 14.51 111.611 -172.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -56.74 -59.08 5.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.112 -0.495 . . . . 15.12 111.463 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 60.16 -84.05 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.649 0.593 . . . . 13.93 109.805 -172.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -129.15 -60.65 1.07 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.298 -1.001 . . . . 14.01 108.298 173.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 51.7 50.34 18.92 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.532 -0.758 . . . . 14.43 111.656 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -78.95 -2.56 40.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.385 -0.371 . . . . 12.41 110.462 177.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.8 t -64.6 -14.26 57.08 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.036 -0.529 . . . . 10.8 112.233 -177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 40.7 t -76.98 -23.82 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.245 0.545 . . . . 11.44 109.852 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.632 ' HA ' ' O ' ' A' ' 123' ' ' GLU . 94.8 mttt -109.75 152.37 25.75 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.551 0.691 . . . . 10.72 110.152 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.575 ' HB2' ' HB2' ' A' ' 125' ' ' HIS . 41.8 t -88.95 97.72 11.35 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.528 -0.76 . . . . 8.16 110.885 -174.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -89.22 65.75 7.4 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.229 0.538 . . . . 7.76 110.512 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.49 HD21 ' HA ' ' A' ' 127' ' ' ALA . 10.1 p30 -173.1 -40.03 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.479 -0.782 . . . . 8.9 111.776 177.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.65 -21.81 2.46 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.705 1.002 . . . . 9.54 113.705 -173.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.91 -34.61 0.16 Allowed Glycine 0 C--N 1.33 0.228 0 C-N-CA 118.863 -1.637 . . . . 9.05 114.963 -168.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp 62.72 27.19 16.01 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.619 0.723 . . . . 12.7 110.227 -174.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.632 ' O ' ' HA ' ' A' ' 116' ' ' LYS . 3.5 pt-20 -132.34 -162.14 1.2 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.995 -1.002 . . . . 12.54 109.423 -178.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -75.41 59.73 2.83 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 114.151 0.421 . . . . 11.83 114.151 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.575 ' HB2' ' HB2' ' A' ' 117' ' ' CYS . 9.8 m170 -117.5 145.03 44.48 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.153 -1.054 . . . . 11.94 108.153 164.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 24.3 pt -78.83 122.99 35.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 108.576 -0.898 . . . . 12.22 108.576 167.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.49 ' HA ' HD21 ' A' ' 119' ' ' ASN . . . -55.03 -18.33 5.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 9.79 111.831 -177.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -63.69 -41.68 98.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.987 -0.551 . . . . 13.15 111.805 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.97 -23.31 21.57 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.574 -0.45 . . . . 14.48 111.065 -171.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 99.3 m -81.11 124.95 29.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.371 -0.377 . . . . 11.41 110.22 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -90.13 98.01 11.52 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.964 0.412 . . . . 17.31 110.355 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.42 ' HB1' ' HD2' ' A' ' 133' ' ' PRO . . . -165.84 159.19 13.09 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 11.89 109.316 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.451 ' HB2' ' NE1' ' A' ' 139' ' ' TRP . 22.4 Cg_endo -60.82 144.56 99.58 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.295 1.996 . . . . 13.32 112.781 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.717 ' HB2' ' CD1' ' A' ' 139' ' ' TRP . 40.2 ttm180 80.79 5.89 1.48 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.437 1.095 . . . . 12.3 110.611 -177.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -70.72 -30.04 66.47 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.164 0.507 . . . . 10.11 109.713 173.382 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -84.6 -0.61 53.92 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.454 -0.943 . . . . 11.69 108.454 168.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 134' ' ' ARG . . . 92.95 -7.69 76.54 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 114.791 -1.095 . . . . 9.53 113.003 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.568 ' SG ' ' N ' ' A' ' 141' ' ' CYS . 36.3 t -120.54 147.21 45.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.323 0.86 . . . . 12.01 113.323 -172.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.717 ' CD1' ' HB2' ' A' ' 134' ' ' ARG . 10.8 m0 -115.31 22.19 13.47 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.31 0.856 . . . . 11.32 113.31 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.407 ' HE2' ' OE2' ' A' ' 153' ' ' GLU . 38.5 tptt -161.65 -51.32 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.769 1.026 . . . . 16.11 113.769 -179.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' CYS . . . . . 0.568 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 3.2 m -66.55 -18.1 65.18 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.138 0.494 . . . . 13.97 109.748 -177.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 68.65 17.34 70.9 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.606 -0.724 . . . . 12.26 112.256 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.513 ' HG2' ' H ' ' A' ' 145' ' ' GLY . 8.0 ttpm? -152.58 151.58 30.82 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.892 -0.41 . . . . 15.88 109.892 -173.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 144' ' ' GLU . 1.1 pm0 -81.0 -3.21 50.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 14.2 111.794 -175.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.513 ' H ' ' HG2' ' A' ' 143' ' ' LYS . . . -83.73 58.39 5.02 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.012 -0.613 . . . . 13.35 111.716 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' A' ' 148' ' ' MET . 0.2 OUTLIER -150.32 161.38 42.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.042 -0.725 . . . . 14.96 109.042 -176.769 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.436 ' HB2' ' HB2' ' A' ' 150' ' ' ASP . 12.7 mm100 -89.79 -4.73 57.49 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.446 0.536 . . . . 15.24 112.446 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.577 ' HA ' ' CE1' ' A' ' 146' ' ' HIS . 8.7 tmm? 69.09 -47.71 0.58 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.546 0.738 . . . . 13.85 112.485 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 149' ' ' LYS . 16.0 tptm -71.43 -42.28 68.44 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.154 -0.684 . . . . 16.38 109.154 171.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.436 ' HB2' ' HB2' ' A' ' 147' ' ' GLN . 7.7 m-20 -88.37 20.46 3.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.395 -0.82 . . . . 17.63 110.232 176.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 28.8 t -55.51 119.12 5.16 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.581 -0.526 . . . . 15.97 109.581 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 17.4 m -63.27 110.82 2.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 18.95 111.303 -176.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.407 ' OE2' ' HE2' ' A' ' 140' ' ' LYS . 0.2 OUTLIER -122.67 131.63 53.89 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.818 -0.808 . . . . 19.35 108.818 177.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -105.36 -23.08 12.91 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.396 -0.366 . . . . 23.48 111.422 -171.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -73.87 -40.48 63.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.965 0.412 . . . . 22.51 110.468 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -82.62 72.19 9.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.196 -0.456 . . . . 23.3 110.456 175.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.365 -0.826 . . . . 24.3 110.88 -177.262 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.95 0.405 . . . . 12.54 111.942 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.487 HG13 ' HB2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER 33.27 29.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 116.028 1.862 . . . . 8.74 116.028 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.538 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -72.11 132.88 44.79 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 119.321 0.964 . . . . 13.19 110.371 -179.274 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.502 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 44.2 tt0 -63.82 129.18 39.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.986 -1.006 . . . . 8.1 111.724 -176.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.85 154.25 30.55 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.638 -0.985 . . . . 9.01 110.638 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.88 -23.06 48.93 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.762 2.308 . . . . 10.91 113.616 -174.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -91.73 -12.51 33.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.842 0.353 . . . . 13.55 110.892 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 4.2 tp10 -88.81 131.42 41.56 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.072 -0.513 . . . . 9.91 111.116 -169.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HA ' ' H ' ' A' ' 77' ' ' GLY . 19.4 Cg_endo -63.78 128.55 22.37 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.966 1.777 . . . . 9.95 111.178 171.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.499 ' O ' HG23 ' A' ' 22' ' ' VAL . 72.0 t80 -43.62 -61.36 1.42 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.829 0.706 . . . . 6.75 112.724 -172.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.543 ' HB3' HE21 ' A' ' 76' ' ' GLN . 9.5 tpt180 -64.56 -17.75 64.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.004 0.372 . . . . 13.72 112.004 -173.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . 16.6 t70 -78.02 -39.02 43.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.35 . . . . 11.24 110.299 -178.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.535 ' CD2' ' HD3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -79.76 -32.37 41.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.511 -0.551 . . . . 7.3 109.511 176.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 18' ' ' PHE . 94.4 t -65.35 -26.27 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.915 -0.584 . . . . 6.77 110.106 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -58.88 -40.12 83.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 11.68 111.685 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.696 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -84.53 -19.22 33.55 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.128 -0.629 . . . . 11.36 110.163 -177.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.487 ' HB2' HG13 ' A' ' 10' ' ' ILE . 88.2 t80 -69.14 -33.91 74.18 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.753 -0.832 . . . . 7.02 108.753 168.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -73.22 -28.07 61.96 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.149 -0.932 . . . . 11.44 109.365 -175.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 16.2 ptmt -75.04 -24.02 58.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.593 -0.73 . . . . 13.47 110.217 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.654 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 30.4 p -84.51 -35.61 22.8 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.204 -0.665 . . . . 9.35 109.204 174.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 52.6 tp -67.61 -34.04 76.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.347 -0.842 . . . . 9.09 110.219 -177.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -72.73 -25.84 61.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.58 -0.736 . . . . 14.19 110.681 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.0 -57.69 2.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.858 -0.61 . . . . 11.93 111.42 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.654 ' HG2' ' O ' ' A' ' 28' ' ' THR . 14.3 pt-20 -88.23 38.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.916 0.389 . . . . 10.89 111.837 -175.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 10.8 pt20 -84.01 41.53 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.22 0.533 . . . . 11.52 111.816 -177.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.88 -63.1 1.43 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.997 -0.547 . . . . 11.97 110.116 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.8 t -83.59 73.5 10.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 12.02 110.169 175.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.74 -31.19 68.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.484 . . . . 12.14 110.242 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.03 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.424 -0.807 . . . . 14.44 111.8 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.2 t -84.13 -34.75 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.019 0.438 . . . . 11.61 109.835 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.521 ' HE2' ' O ' ' A' ' 32' ' ' GLU . 44.9 mmtm -61.7 -52.48 64.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.6 . . . . 9.78 111.167 -178.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.443 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 8.7 t30 -60.87 -44.3 97.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.651 -0.25 . . . . 11.43 110.792 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.79 76.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 11.43 110.728 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.2 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.121 -0.491 . . . . 9.19 110.565 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 39' ' ' LYS . 66.2 p -48.54 -33.33 9.4 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.869 0.692 . . . . 7.35 112.869 -175.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 40' ' ' ASN . 45.5 mt-10 -55.09 -58.43 7.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.114 0.483 . . . . 11.69 111.236 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.9 t -85.07 -26.75 26.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.82 -0.627 . . . . 11.34 110.997 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.437 ' HB3' ' HA ' ' A' ' 43' ' ' THR . 3.0 tm? -64.53 -57.6 8.71 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 116.089 -0.505 . . . . 8.22 111.418 -175.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.495 HD12 HG22 ' A' ' 22' ' ' VAL . 3.4 mm? -64.49 -30.9 71.93 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.35 0.5 . . . . 5.99 112.35 -174.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.562 ' O ' ' HE2' ' A' ' 56' ' ' LYS . 35.6 m -77.55 -33.25 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.304 -0.558 . . . . 8.67 110.892 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -80.27 -22.73 41.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.741 . . . . 12.22 110.112 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.538 ' ND2' ' HA ' ' A' ' 11' ' ' ARG . 23.7 t-20 -69.16 -17.62 63.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.865 -1.062 . . . . 8.3 111.028 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -77.12 157.51 30.97 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.087 -0.506 . . . . 8.36 110.521 -175.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -69.66 145.51 95.01 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 108.382 -0.97 . . . . 9.4 108.382 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -37.76 -49.38 2.01 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.602 2.868 . . . . 11.66 113.644 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.65 -38.21 90.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.341 0.591 . . . . 10.64 111.192 -176.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.6 t -67.06 -49.13 66.16 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.065 -0.97 . . . . 8.04 112.285 -175.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.562 ' HE2' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -69.17 -29.06 66.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.746 -0.596 . . . . 10.04 110.033 178.149 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.401 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 55.2 m -61.0 -44.97 96.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.257 -0.883 . . . . 12.46 111.404 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.723 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.7 pt -73.44 -37.75 51.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.602 -0.439 . . . . 11.46 111.192 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 56' ' ' LYS . 27.3 mt -46.73 -48.5 20.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.976 0.417 . . . . 11.84 111.72 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 57' ' ' THR . 14.4 ptmt -79.59 -18.55 51.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.052 -0.522 . . . . 14.91 111.521 -177.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.47 -42.78 19.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.801 0.334 . . . . 15.64 111.085 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 1.7 pp . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 111.9 0.333 . . . . 15.72 111.9 -176.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 121.133 0.492 . . . . 12.22 109.708 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -76.03 -28.48 57.74 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.057 -0.72 . . . . 16.53 109.057 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -65.43 -47.5 76.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.896 -1.047 . . . . 15.56 110.619 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.0 ptp -69.48 -27.99 65.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.96 0.41 . . . . 10.3 110.291 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.439 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 59.6 ttp -69.76 -43.06 73.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 11.15 109.906 176.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.8 m -69.57 -33.12 72.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.54 -0.755 . . . . 12.02 110.445 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.68 -35.25 74.09 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.869 -0.605 . . . . 9.32 111.066 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 70.2 m -95.12 -4.4 46.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.881 -0.599 . . . . 7.31 111.293 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.543 HE21 ' HB3' ' A' ' 19' ' ' ARG . 92.8 mt-30 -80.4 114.67 19.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.136 -0.69 . . . . 10.66 109.136 171.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.436 ' H ' ' HA ' ' A' ' 17' ' ' PRO . . . 63.09 68.3 1.72 Allowed Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.708 -0.758 . . . . 8.85 111.438 -174.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 120.811 0.339 . . . . 8.24 110.689 -178.897 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 120.799 0.333 . . . . 12.54 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.527 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -66.64 40.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 113.62 0.97 . . . . 8.74 113.62 -178.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.42 ' HG2' ' OD1' ' A' ' 50' ' ' ASN . 81.7 mtt180 -76.34 150.44 36.87 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.127 -1.064 . . . . 13.19 108.127 172.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -127.69 157.13 41.12 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.089 -1.044 . . . . 8.1 113.36 -171.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.443 ' HA2' ' HB2' ' A' ' 52' ' ' ASN . . . -109.96 -172.69 20.42 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 114.2 -1.364 . . . . 9.01 111.205 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.632 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 93.8 Cg_endo -86.96 22.59 0.92 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.854 2.369 . . . . 10.91 112.942 -173.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.81 4.58 11.0 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.834 -0.346 . . . . 13.55 111.524 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.54 130.06 31.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 112.186 0.439 . . . . 9.91 112.186 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.09 146.1 51.22 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.369 2.046 . . . . 9.95 110.123 165.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.483 ' CG ' ' HA ' ' A' ' 72' ' ' MET . 82.4 t80 -45.57 -59.13 2.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.393 0.516 . . . . 6.75 112.393 -174.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 20' ' ' ASP . 6.6 ppt_? -58.63 -19.52 39.7 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.864 0.69 . . . . 13.72 112.864 -176.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.487 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 37.2 t70 -87.94 -42.22 12.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.324 0.583 . . . . 11.24 109.742 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -46.51 85.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 7.3 109.442 173.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.75 -29.69 47.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.162 -0.927 . . . . 6.77 111.241 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.09 -46.9 72.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 11.68 111.875 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -31.87 23.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.747 0.308 . . . . 11.36 110.386 -178.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.455 ' CD2' HD23 ' A' ' 47' ' ' LEU . 90.4 t80 -67.4 -29.97 69.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.445 -0.343 . . . . 7.02 110.88 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -75.1 -24.32 58.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.463 0.649 . . . . 11.44 109.476 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -62.95 -28.96 70.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.036 -0.984 . . . . 13.47 110.811 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -70.25 -34.83 73.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.096 0.474 . . . . 9.35 110.107 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 11.1 mp -66.58 -26.97 67.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.714 -0.675 . . . . 9.09 110.793 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -80.1 -27.78 39.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.053 -0.521 . . . . 14.19 110.299 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.44 -24.91 27.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.735 -0.666 . . . . 11.93 111.89 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 29' ' ' LEU . 11.6 pt-20 -86.02 -167.28 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 10.89 110.789 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -62.02 150.77 37.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.213 0.53 . . . . 11.52 110.352 175.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.93 -20.42 49.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.623 -0.717 . . . . 11.97 111.955 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.3 m -50.47 107.25 0.15 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.676 0.61 . . . . 12.02 111.814 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -74.1 -27.84 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.871 -0.604 . . . . 12.14 111.436 -176.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.38 -32.64 70.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.433 -0.349 . . . . 14.44 111.167 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.4 -36.57 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.37 -0.377 . . . . 11.61 110.374 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.68 -46.78 83.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.885 -0.598 . . . . 9.78 111.391 -175.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -63.42 -36.3 83.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.377 -0.374 . . . . 11.43 111.556 -176.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.04 -28.85 43.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.086 0.47 . . . . 11.43 110.916 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.38 -60.43 2.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 9.19 111.289 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 p -57.83 -31.18 66.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.866 -0.606 . . . . 7.35 112.484 -173.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 45' ' ' THR . 9.4 pt-20 -55.43 -49.19 73.05 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 121.002 -0.279 . . . . 11.69 110.96 -176.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 8.9 t -87.24 -35.51 18.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.074 0.464 . . . . 11.34 110.823 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -69.4 -36.87 77.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 8.22 111.456 -172.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.455 HD23 ' CD2' ' A' ' 25' ' ' PHE . 3.5 tm? -66.66 -47.33 72.83 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.775 0.321 . . . . 5.99 110.21 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.722 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 34.9 m -72.25 -27.08 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.991 0.424 . . . . 8.67 111.767 -176.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.538 ' HA ' ' NZ ' ' A' ' 56' ' ' LYS . 14.8 mm100 -76.64 -19.34 57.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.66 0.266 . . . . 12.22 111.4 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.42 ' OD1' ' HG2' ' A' ' 11' ' ' ARG . 14.2 t30 -96.81 10.76 37.94 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.175 -0.466 . . . . 8.3 111.546 -174.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.09 178.11 4.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.916 0.389 . . . . 8.36 110.982 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.443 ' HB2' ' HA2' ' A' ' 13' ' ' GLY . 22.5 t-20 -71.56 141.9 85.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.813 -0.63 . . . . 9.4 110.469 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 56' ' ' LYS . 58.9 Cg_exo -37.12 -50.51 1.56 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.547 2.832 . . . . 11.66 113.516 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' A' ' 57' ' ' THR . 10.8 t70 -65.07 -45.17 86.42 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.272 0.558 . . . . 10.64 111.034 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.632 ' SG ' ' HA ' ' A' ' 14' ' ' PRO . 58.4 m -64.31 -36.0 82.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.289 -0.868 . . . . 8.04 111.185 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.722 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 16.0 mtpp -70.58 -40.92 73.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.588 0.708 . . . . 10.04 109.311 175.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 18.4 m -54.03 -53.23 55.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.36 -1.291 . . . . 12.46 112.332 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.64 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 26.5 pt -57.53 -40.45 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.834 0.309 . . . . 11.46 111.834 -177.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.504 HD21 ' SG ' ' A' ' 75' ' ' CYS . 73.0 mt -59.57 -47.21 86.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.028 0.442 . . . . 11.84 111.157 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -80.31 -20.5 44.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.188 -0.46 . . . . 14.91 110.632 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.88 -13.19 59.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 15.64 111.006 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 66.1 mt . . . . . 0 C--N 1.331 -0.212 0 CA-C-O 121.084 0.469 . . . . 15.72 110.364 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.796 0.332 . . . . 12.22 110.298 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -70.24 -24.09 63.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.404 0.621 . . . . 16.53 109.961 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -67.48 -49.0 65.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.201 -0.909 . . . . 15.56 110.196 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.8 ptp -68.97 -27.36 65.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 10.3 110.341 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.483 ' HA ' ' CG ' ' A' ' 18' ' ' PHE . 47.4 ttm -64.96 -51.98 58.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.122 0.487 . . . . 11.15 109.85 176.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.4 m -63.81 -28.97 70.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.262 -0.881 . . . . 12.02 111.15 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.2 20.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.67 -0.696 . . . . 9.32 111.682 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.504 ' SG ' HD21 ' A' ' 59' ' ' LEU . 72.0 m -87.58 10.63 17.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.995 0.369 . . . . 7.31 111.995 -176.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -104.78 123.27 47.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.378 -0.601 . . . . 10.66 109.378 173.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.7 17.21 76.47 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.662 -0.78 . . . . 8.85 111.915 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.299 0.571 . . . . 8.24 110.561 -177.826 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.861 0.363 . . . . 12.54 110.528 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.434 ' H ' HG12 ' A' ' 10' ' ' ILE . 6.1 pt -71.15 63.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.827 -0.624 . . . . 8.74 112.491 -176.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 12.0 ptp180 -133.05 172.75 12.22 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.273 -0.639 . . . . 13.19 109.273 174.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -122.75 143.24 49.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.168 0.509 . . . . 8.1 111.595 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.25 169.3 18.53 Favored Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.862 -0.895 . . . . 9.01 110.862 170.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.52 -34.78 84.8 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.409 2.073 . . . . 10.91 112.512 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -94.42 3.65 54.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.388 -0.369 . . . . 13.55 111.267 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -82.29 128.53 67.09 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.79 0.328 . . . . 9.91 110.779 -175.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.94 112.07 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.416 2.077 . . . . 9.95 110.452 170.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -51.96 -35.58 46.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.509 -0.769 . . . . 6.75 111.25 -176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 72.1 ttt180 -71.08 -18.89 62.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.303 -0.408 . . . . 13.72 111.871 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -86.81 -59.61 2.22 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.301 -0.559 . . . . 11.24 111.79 -172.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.536 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 6.2 m-85 -75.59 -24.66 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.475 -0.49 . . . . 7.3 111.896 -175.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.7 t -79.57 -25.46 12.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.132 0.491 . . . . 6.77 109.868 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 20.9 t70 -61.79 -36.54 81.39 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.97 -0.752 . . . . 11.68 108.97 171.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.536 ' HD2' ' HA ' ' A' ' 21' ' ' TYR . 31.6 mtt180 -70.24 -35.47 73.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.173 -0.921 . . . . 11.36 109.679 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.499 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 66.4 t80 -61.67 -34.3 75.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.208 -0.905 . . . . 7.02 110.046 177.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -81.59 -36.67 28.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.795 -0.639 . . . . 11.44 109.911 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 41.9 mmtm -60.51 -43.56 96.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.79 -0.641 . . . . 13.47 111.533 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 12.9 t -68.22 -27.59 66.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.929 0.395 . . . . 9.35 110.561 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 85.8 mt -74.42 -24.82 59.15 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.913 0.387 . . . . 9.09 110.043 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -71.62 -34.47 69.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.839 -0.619 . . . . 14.19 110.572 175.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.62 -57.62 6.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.182 -0.463 . . . . 11.93 110.511 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.0 pt-20 -89.86 43.81 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.179 0.514 . . . . 10.89 110.651 176.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -63.17 -13.64 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.995 -0.548 . . . . 11.52 112.062 -175.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.4 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.085 0.469 . . . . 11.97 110.63 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 15.4 m -82.73 54.24 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.102 -0.499 . . . . 12.02 111.374 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -67.62 -33.6 75.31 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.249 0.547 . . . . 12.14 110.435 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -55.83 -33.5 64.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.054 -0.975 . . . . 14.44 111.204 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.1 t -81.8 -38.22 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.185 -0.461 . . . . 11.61 110.075 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 35' ' ' SER . 97.1 mttt -53.97 -42.24 68.73 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.474 -0.785 . . . . 9.78 111.624 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -43.42 -56.05 3.81 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.765 0.666 . . . . 11.43 112.096 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.1 -44.6 14.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.224 -0.444 . . . . 11.43 110.529 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.72 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -60.37 -53.92 51.78 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.787 -0.642 . . . . 9.19 112.261 -173.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.6 t -58.28 -31.31 67.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.911 0.386 . . . . 7.35 111.507 -170.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -84.01 -44.48 14.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.377 -0.374 . . . . 11.69 111.384 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.453 ' O ' HG12 ' A' ' 48' ' ' VAL . 9.9 t -84.11 -27.13 28.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.11 0.481 . . . . 11.34 110.573 -174.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.72 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -72.41 -51.23 21.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.063 -0.517 . . . . 8.22 110.779 178.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.5 tp -67.48 -26.29 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.763 0.316 . . . . 5.99 110.246 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 45' ' ' THR . 1.6 p -81.82 -30.68 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 8.67 110.735 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -81.75 -47.05 13.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.209 0.528 . . . . 12.22 110.646 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 7.3 m-20 -70.28 -15.69 62.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.528 -0.76 . . . . 8.3 112.25 -176.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.27 151.78 41.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.03 0.443 . . . . 8.36 110.012 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -69.0 135.39 89.6 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.804 -0.634 . . . . 9.4 109.468 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.426 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 3.6 Cg_exo -38.88 -50.32 2.57 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.93 3.087 . . . . 11.66 113.327 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.59 -46.65 89.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.838 -0.619 . . . . 10.64 112.276 -174.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.617 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 30.6 p -75.66 -41.02 55.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.077 -0.51 . . . . 8.04 111.709 -170.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' ' 53' ' ' PRO . 3.6 pttp -72.61 -23.68 60.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.288 0.566 . . . . 10.04 109.93 178.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.53 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 20.3 m -68.71 -45.27 72.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.611 -0.722 . . . . 12.46 111.189 173.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 55' ' ' CYS . 2.8 pp -74.8 -24.14 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.263 0.468 . . . . 11.46 112.263 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 66.8 mt -56.03 -45.47 79.14 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.846 0.355 . . . . 11.84 111.637 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -70.11 -20.87 63.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.465 . . . . 14.91 111.536 -174.393 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.47 -34.45 23.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.967 0.413 . . . . 15.64 110.723 176.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.869 -0.605 . . . . 15.72 112.114 -177.399 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.581 0.229 . . . . 12.22 111.194 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -72.31 -27.62 62.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.882 0.372 . . . . 16.53 111.45 -173.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -81.09 -35.49 31.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.938 0.399 . . . . 15.56 110.565 -175.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.9 ptp -76.3 -28.08 56.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.569 -0.53 . . . . 10.3 109.569 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' A' ' 19' ' ' ARG . 58.0 ttp -68.25 -40.89 81.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.926 -0.579 . . . . 11.15 110.228 175.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.477 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 32.7 m -69.33 -29.13 66.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.698 -0.683 . . . . 12.02 110.487 176.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.81 62.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.532 -0.758 . . . . 9.32 111.773 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.407 ' SG ' HD11 ' A' ' 58' ' ' ILE . 74.7 m -86.23 -24.71 25.94 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.322 0.49 . . . . 7.31 112.322 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.477 ' NE2' ' HA ' ' A' ' 73' ' ' THR . 10.6 pt20 -80.01 114.95 19.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.382 0.61 . . . . 10.66 110.298 -178.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.86 56.37 4.52 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.693 -0.765 . . . . 8.85 112.543 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 109.301 -0.629 . . . . 8.24 109.301 173.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.631 0.253 . . . . 12.54 111.446 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.558 ' HA ' ' HG3' ' A' ' 24' ' ' ARG . 11.5 pt -76.79 55.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.796 0.808 . . . . 8.74 112.392 -173.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -127.57 157.68 39.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.63 -0.714 . . . . 13.19 109.282 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.47 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 40.7 tt0 -108.45 142.69 38.45 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.455 -0.339 . . . . 8.1 111.011 -172.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.83 159.61 34.63 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.235 -0.746 . . . . 9.01 111.235 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -42.64 -49.37 6.58 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.667 2.911 . . . . 10.91 114.216 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 14.35 18.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.356 . . . . 13.55 111.717 -174.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.77 131.52 92.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 9.91 110.973 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -58.47 119.13 6.18 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.481 2.12 . . . . 9.95 110.828 173.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.715 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 44.3 t80 -53.59 -30.41 42.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.517 -0.765 . . . . 6.75 111.429 -177.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -58.78 -34.56 71.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 13.72 111.09 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 29.4 t70 -85.73 -34.35 21.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.057 0.456 . . . . 11.24 110.491 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.485 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 11.1 t80 -57.37 -35.08 69.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.686 0.755 . . . . 7.3 109.889 171.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 18' ' ' PHE . 47.8 t -72.38 -38.75 61.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.056 -0.975 . . . . 6.77 110.392 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 10.9 t70 -52.14 -47.15 65.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.54 -0.754 . . . . 11.68 111.819 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HG3' ' HA ' ' A' ' 10' ' ' ILE . 4.6 ptm180 -72.92 -39.74 66.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 11.36 110.011 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.692 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 51.8 t80 -64.18 -27.82 69.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.446 -0.797 . . . . 7.02 110.984 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -79.47 -39.77 31.38 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.4 0.619 . . . . 11.44 109.798 -176.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 9.7 mtmp? -64.38 -29.12 70.19 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.463 -0.79 . . . . 13.47 112.349 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.55 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 14.8 t -77.74 -30.78 51.77 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.269 -0.573 . . . . 9.35 110.25 176.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 81.1 mt -70.43 -32.18 69.66 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.457 -0.338 . . . . 9.09 111.109 -177.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 23.5 ptt180 -70.49 -22.46 62.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.405 0.621 . . . . 14.19 110.278 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -56.21 4.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.352 -0.84 . . . . 11.93 110.544 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.3 pt-20 -86.65 52.01 2.39 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.667 0.746 . . . . 10.89 111.153 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -64.17 -17.56 63.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.552 -0.749 . . . . 11.52 111.849 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.39 -38.84 29.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.841 0.353 . . . . 11.97 111.091 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m -81.89 69.23 8.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.984 -0.553 . . . . 12.02 111.103 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -71.36 -43.47 66.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.951 -0.568 . . . . 12.14 111.091 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -68.39 -28.46 67.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.282 0.563 . . . . 14.44 110.675 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -71.45 -45.52 68.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.609 -0.723 . . . . 11.61 110.675 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -74.57 -23.61 58.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.167 0.508 . . . . 9.78 110.535 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -67.81 -30.15 69.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.602 -0.726 . . . . 11.43 109.243 175.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.99 -37.66 21.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.336 -0.847 . . . . 11.43 110.02 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.531 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -59.13 -36.84 75.91 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.163 -0.926 . . . . 9.19 111.872 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 47' ' ' LEU . 17.8 p -60.26 -43.02 96.5 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.978 0.418 . . . . 7.35 111.439 -178.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -85.75 -44.06 12.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.525 0.565 . . . . 11.69 112.525 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.0 m -83.87 -45.28 13.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.159 0.504 . . . . 11.34 111.507 -175.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.531 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 2.1 tm? -87.76 -51.44 5.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.841 -0.618 . . . . 8.22 111.262 -171.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.528 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.5 tm? -67.36 -25.87 66.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.716 0.769 . . . . 5.99 109.891 -172.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 55.5 t -81.31 -48.47 18.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.875 -0.602 . . . . 8.67 110.938 176.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -71.65 -32.5 67.99 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.175 0.435 . . . . 12.22 112.175 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 1.4 m-20 -81.44 2.1 30.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.209 0.818 . . . . 8.3 113.209 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.064 ' HB3' ' HD3' ' A' ' 56' ' ' LYS . . . -105.71 -179.93 4.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 118.916 -1.114 . . . . 8.36 111.008 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.512 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 39.1 t30 -62.64 121.17 65.97 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.71 -0.677 . . . . 9.4 110.092 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -38.39 -52.82 1.88 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.394 2.729 . . . . 11.66 112.881 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.81 -46.92 71.25 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.879 0.737 . . . . 10.64 112.029 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.554 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 65.5 m -60.34 -41.33 93.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.447 -0.797 . . . . 8.04 111.186 -176.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 1.064 ' HD3' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.23 -22.99 41.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.456 0.646 . . . . 10.04 111.705 176.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.597 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 55.2 m -66.68 -45.89 77.41 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.952 -1.022 . . . . 12.46 111.261 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 42.1 pt -68.4 -30.16 46.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 111.622 0.23 . . . . 11.46 111.622 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 46.2 mt -53.29 -43.43 67.51 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.351 0.5 . . . . 11.84 112.351 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 57' ' ' THR . 13.1 pttp -71.31 -20.41 62.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.865 0.364 . . . . 14.91 110.919 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.35 -12.6 59.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 15.64 110.617 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.2 mt . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 121.003 0.43 . . . . 15.72 110.205 175.166 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.197 -0.297 . . . . 12.22 110.197 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.9 -28.19 60.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.222 0.534 . . . . 16.53 110.236 -175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.47 -50.32 65.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.155 -0.929 . . . . 15.56 110.121 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.2 ptp -69.62 -29.84 67.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 10.3 110.519 -178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.715 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 44.2 ttm -69.28 -48.48 61.55 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.012 -0.54 . . . . 11.15 110.082 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -67.76 -46.89 70.77 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.162 -0.926 . . . . 12.02 111.18 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.61 83.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.735 -0.666 . . . . 9.32 112.523 -174.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 71.4 m -88.4 11.81 15.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.21 0.448 . . . . 7.31 112.21 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' A' ' 72' ' ' MET . 79.2 mt-30 -99.83 115.71 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.954 0.407 . . . . 10.66 110.517 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.52 -1.83 39.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 8.85 112.697 177.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.4 t . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 120.906 0.384 . . . . 8.24 110.564 -179.774 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 113.12 0.785 . . . . 12.54 113.12 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.466 HG12 ' CE1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -91.66 146.6 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.767 -0.827 . . . . 8.74 108.767 171.353 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -140.78 161.8 36.94 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.359 -0.537 . . . . 13.19 111.251 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.443 ' HG3' ' HB3' ' A' ' 16' ' ' GLU . 64.6 tt0 -113.18 135.76 53.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.671 -0.695 . . . . 8.1 109.56 176.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.78 -150.52 24.8 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.07 -0.586 . . . . 9.01 112.448 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.55 -66.28 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.922 2.415 . . . . 10.91 112.9 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -108.2 13.71 25.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.073 -0.512 . . . . 13.55 110.832 -175.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.443 ' HB3' ' HG3' ' A' ' 12' ' ' GLN . 5.5 tp10 -51.78 118.98 12.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.606 -0.724 . . . . 9.91 110.846 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.61 123.87 14.75 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.294 1.996 . . . . 9.95 110.698 175.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -60.38 -28.87 68.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.277 -0.42 . . . . 6.75 110.523 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.72 -23.24 64.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.748 0.309 . . . . 13.72 110.725 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.31 -39.86 14.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.271 0.558 . . . . 11.24 109.549 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.466 ' CE1' HG12 ' A' ' 10' ' ' ILE . 45.3 t80 -55.55 -41.28 73.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.296 -0.866 . . . . 7.3 109.875 173.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.05 -35.26 28.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.115 -0.948 . . . . 6.77 110.282 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.83 -48.4 72.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.005 -0.543 . . . . 11.68 111.602 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -70.79 -34.98 72.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.295 0.569 . . . . 11.36 109.734 -176.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.428 ' HA ' HG21 ' A' ' 10' ' ' ILE . 71.0 t80 -65.28 -43.31 91.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.031 -0.986 . . . . 7.02 111.334 177.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -84.4 -27.99 27.23 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.997 -0.547 . . . . 11.44 110.857 -169.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -72.09 -33.46 67.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.081 -0.509 . . . . 13.47 110.827 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 t -84.75 -27.16 27.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.73 -0.47 . . . . 9.35 109.73 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 55.3 tp -59.42 -37.84 79.08 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.556 -0.747 . . . . 9.09 110.789 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -82.82 -33.6 27.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 14.19 112.926 -173.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.17 -60.63 2.03 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 112.901 0.704 . . . . 11.93 112.901 -171.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -93.76 29.59 2.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.605 0.595 . . . . 10.89 112.605 -171.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.475 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 3.2 pt20 -71.49 70.62 0.64 Allowed 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.465 0.543 . . . . 11.52 112.465 -173.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.0 -65.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.742 0.645 . . . . 11.97 112.742 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.752 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 16.1 m -84.6 65.65 9.13 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.994 0.368 . . . . 12.02 111.994 -174.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.504 ' HG2' ' N ' ' A' ' 37' ' ' GLU . 4.8 pm0 -48.88 -46.67 42.97 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.598 0.962 . . . . 12.14 113.598 -172.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.504 ' N ' ' HG2' ' A' ' 36' ' ' GLN . 14.9 tt0 -49.7 -58.4 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.983 1.105 . . . . 14.44 113.983 -168.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.7 t -83.0 -23.82 8.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.224 0.535 . . . . 11.61 110.859 -174.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.752 ' HG2' ' O ' ' A' ' 35' ' ' SER . 70.6 mmtt -80.19 -35.63 36.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.951 -0.568 . . . . 9.78 110.63 -174.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.62 -36.07 64.11 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.932 0.396 . . . . 11.43 111.327 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.63 -29.79 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.118 0.485 . . . . 11.43 110.195 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.64 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -76.56 -34.86 58.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.663 -0.698 . . . . 9.19 110.849 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -48.11 -39.14 19.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.894 0.877 . . . . 7.35 112.291 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -83.62 -43.08 16.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.888 -0.596 . . . . 11.69 111.538 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 t -84.59 -22.26 30.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.068 -0.514 . . . . 11.34 111.43 -173.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.64 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -74.91 -38.33 61.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.537 -0.301 . . . . 8.22 110.807 -177.762 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.27 -43.9 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 5.99 111.464 177.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.603 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 18.8 m -82.39 -26.15 8.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.85 -0.34 . . . . 8.67 111.797 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.45 -58.0 9.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.338 -0.392 . . . . 12.22 111.56 -176.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -95.1 12.68 27.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.344 0.498 . . . . 8.3 112.344 -172.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . . . -77.47 171.23 15.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.961 0.41 . . . . 8.36 110.678 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.521 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 26.4 t-20 -65.84 134.33 95.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.857 -0.61 . . . . 9.4 109.418 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.478 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . 71.9 Cg_exo -37.91 -51.46 1.88 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.587 2.858 . . . . 11.66 113.783 -177.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.486 ' O ' ' HB ' ' A' ' 57' ' ' THR . 6.1 t70 -75.29 -39.05 60.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.081 0.467 . . . . 10.64 110.827 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.532 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 75.1 m -61.05 -45.31 95.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.434 -0.803 . . . . 8.04 111.627 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.603 ' HD2' ' O ' ' A' ' 48' ' ' VAL . 2.0 pttt -75.05 -23.87 58.16 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.144 -0.622 . . . . 10.04 110.465 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 21.4 m -62.57 -43.98 97.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.55 -0.75 . . . . 12.46 110.447 175.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.691 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 29.5 pt -83.97 -29.93 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 11.46 112.089 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 22.6 mt -44.31 -50.84 8.86 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.969 0.414 . . . . 11.84 111.983 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -78.16 -20.14 52.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.096 -0.502 . . . . 14.91 111.548 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.93 -40.72 27.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.455 -0.339 . . . . 15.64 110.872 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 2.2 pp . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.543 -0.299 . . . . 15.72 111.35 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.388 0.137 . . . . 12.22 111.115 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.67 -23.72 45.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.373 0.606 . . . . 16.53 109.723 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -63.96 -48.62 75.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.105 -0.952 . . . . 15.56 110.15 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.7 ptm -73.83 -25.56 60.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.952 -0.567 . . . . 10.3 110.612 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 47.1 ttm -70.68 -52.33 21.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.359 0.6 . . . . 11.15 110.178 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.532 HG23 HE21 ' A' ' 76' ' ' GLN . 88.8 m -62.4 -34.73 77.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.127 -0.942 . . . . 12.02 110.744 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.26 -20.28 66.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.956 -0.566 . . . . 9.32 111.909 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 60.6 m -117.16 10.59 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.603 0.594 . . . . 7.31 112.603 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.532 HE21 HG23 ' A' ' 73' ' ' THR . 29.8 pt20 -100.99 116.34 32.6 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.123 -0.631 . . . . 10.66 110.355 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.4 59.3 8.51 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.607 -0.724 . . . . 8.85 111.951 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.494 0.664 . . . . 8.24 110.237 -178.768 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.503 ' O ' HD12 ' A' ' 10' ' ' ILE . 6.8 m-20 . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 119.571 -0.252 . . . . 12.54 111.216 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.601 HD13 ' CD1' ' A' ' 25' ' ' PHE . 1.1 pp 29.39 50.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.359 1.064 . . . . 8.74 113.664 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.5 ' HG3' ' HB3' ' A' ' 9' ' ' ASP . 67.5 mtt180 -90.77 173.35 8.06 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.837 -0.801 . . . . 13.19 108.837 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 21' ' ' TYR . 41.1 tt0 -91.4 104.83 17.3 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.173 -0.611 . . . . 8.1 110.729 178.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.04 154.24 49.93 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 110.782 -0.927 . . . . 9.01 110.782 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.51 1.27 2.71 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.531 2.154 . . . . 10.91 113.322 -175.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -119.57 3.14 11.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.625 -0.261 . . . . 13.55 111.458 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.3 tp10 -91.36 120.11 68.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 111.778 0.288 . . . . 9.91 111.778 -168.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 16' ' ' GLU . 12.7 Cg_exo -71.49 142.31 40.27 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.903 2.402 . . . . 9.95 111.496 172.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 61.4 t80 -46.21 -57.84 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.17 0.804 . . . . 6.75 113.17 -172.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -53.6 -37.24 62.81 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.301 0.482 . . . . 13.72 112.301 -174.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 33.8 t70 -81.05 -43.87 18.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.022 0.439 . . . . 11.24 109.867 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 12' ' ' GLN . 5.5 t80 -50.75 -44.85 58.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.385 -0.825 . . . . 7.3 110.465 174.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 80.6 t -75.25 -33.83 29.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.249 -0.887 . . . . 6.77 110.658 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.57 -39.91 89.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.123 0.487 . . . . 11.68 110.298 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 25.5 mtp180 -69.08 -49.3 58.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.798 0.808 . . . . 11.36 109.394 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.601 ' CD1' HD13 ' A' ' 10' ' ' ILE . 48.8 t80 -62.08 -28.36 69.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.197 -1.365 . . . . 7.02 111.435 -176.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -89.52 -32.5 17.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.806 0.336 . . . . 11.44 110.956 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 16.8 pttp -69.49 -27.82 65.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.559 -0.291 . . . . 13.47 110.888 -174.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -72.15 -30.97 65.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 9.35 110.407 174.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 76.7 mt -70.12 -35.5 74.15 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.155 -0.475 . . . . 9.09 111.008 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -81.52 -26.01 35.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.182 0.515 . . . . 14.19 110.428 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.79 -30.39 56.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.591 -0.731 . . . . 11.93 111.639 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -82.68 -163.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.698 0.285 . . . . 10.89 110.637 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -60.43 150.16 31.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.711 0.767 . . . . 11.52 110.66 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 36' ' ' GLN . . . -74.88 -20.38 59.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.946 -1.025 . . . . 11.97 112.656 -171.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.408 ' O ' ' HE2' ' A' ' 39' ' ' LYS . 4.6 m -41.71 95.99 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.986 0.804 . . . . 12.02 112.375 -177.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 22.7 mt-30 -80.91 -30.65 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 12.14 111.432 -174.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.41 -35.83 65.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 14.44 111.801 -175.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.2 t -80.35 -43.4 21.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.968 0.413 . . . . 11.61 110.339 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' A' ' 35' ' ' SER . 51.7 mtmt -70.98 -50.28 36.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 9.78 111.51 -171.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 7.2 m120 -60.5 -35.68 76.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.097 -0.501 . . . . 11.43 112.153 -174.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.71 -39.86 23.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.871 0.367 . . . . 11.43 111.049 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -64.8 -51.42 62.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 9.19 111.077 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.6 p -55.4 -27.71 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.938 0.718 . . . . 7.35 112.938 -174.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 40' ' ' ASN . 43.0 mt-10 -58.99 -54.82 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.203 0.525 . . . . 11.69 110.098 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.0 m -78.72 -33.21 46.94 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.597 -0.729 . . . . 11.34 110.704 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -59.8 -53.76 54.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 8.22 110.654 -178.219 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.05 -27.21 68.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.221 0.534 . . . . 5.99 110.539 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.3 t -81.42 -24.42 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.555 -0.748 . . . . 8.67 110.623 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -79.68 -48.49 13.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.782 -0.645 . . . . 12.22 111.101 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.427 ' ND2' ' HA ' ' A' ' 11' ' ' ARG . 32.2 p-10 -94.17 14.23 20.76 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.18 0.437 . . . . 8.3 112.18 -174.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.12 166.55 17.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.853 0.358 . . . . 8.36 110.343 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.51 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 35.6 t30 -65.47 127.61 93.11 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 108.916 -0.772 . . . . 9.4 108.916 174.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.51 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 54.1 Cg_exo -37.63 -54.91 1.15 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.408 2.739 . . . . 11.66 113.4 -177.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.51 -42.11 98.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.643 0.735 . . . . 10.64 111.281 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.483 ' O ' HG12 ' A' ' 58' ' ' ILE . 42.7 t -62.41 -41.6 98.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.456 -1.247 . . . . 8.04 111.958 -173.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -78.8 -22.57 46.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.417 0.627 . . . . 10.04 110.29 177.453 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.448 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 29.5 m -68.83 -40.45 79.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.252 -0.885 . . . . 12.46 111.294 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.1 pt -65.39 -34.44 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.949 -0.301 . . . . 11.46 111.018 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.698 HD21 ' SG ' ' A' ' 75' ' ' CYS . 77.1 mt -57.82 -46.51 84.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.258 0.551 . . . . 11.84 110.916 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 57' ' ' THR . 18.1 ptmt -79.87 -19.45 48.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.677 -0.692 . . . . 14.91 110.484 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.55 -30.94 61.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.581 . . . . 15.64 110.606 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 74.5 mt . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.207 -0.451 . . . . 15.72 110.875 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.6 0.238 . . . . 12.22 111.258 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -79.15 -24.06 43.55 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.413 -0.515 . . . . 16.53 109.927 -174.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -64.5 -51.84 60.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.367 -0.833 . . . . 15.56 109.857 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -68.7 -28.17 66.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.894 -0.594 . . . . 10.3 110.787 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.565 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 40.1 ttp -71.14 -50.35 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.755 -0.461 . . . . 11.15 109.755 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.1 m -68.17 -33.24 74.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.513 -0.767 . . . . 12.02 111.454 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.12 -42.33 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.235 -0.439 . . . . 9.32 111.738 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.698 ' SG ' HD21 ' A' ' 59' ' ' LEU . 72.2 m -99.63 0.81 42.81 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.717 0.636 . . . . 7.31 112.717 -172.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -81.8 115.45 21.03 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.869 -0.733 . . . . 10.66 109.894 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.52 58.94 11.83 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.454 -0.794 . . . . 8.85 112.854 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.5 t . . . . . 0 N--CA 1.462 0.13 0 N-CA-C 109.806 -0.442 . . . . 8.24 109.806 177.696 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 11' ' ' ARG . 30.6 t70 . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 121.688 0.756 . . . . 12.54 110.488 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.434 ' H ' HG12 ' A' ' 10' ' ' ILE . 6.0 pt -74.6 20.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.554 -0.748 . . . . 8.74 111.714 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.452 ' H ' ' C ' ' A' ' 9' ' ' ASP . 16.1 ptt180 -91.95 171.04 9.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.64 -0.709 . . . . 13.19 109.579 177.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.494 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 57.2 tt0 -104.54 120.34 41.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.829 0.347 . . . . 8.1 110.159 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.27 169.82 50.96 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.725 -0.75 . . . . 9.01 111.802 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -55.74 -33.53 88.08 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.298 2.665 . . . . 10.91 113.862 -175.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -118.85 9.43 12.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.006 0.431 . . . . 13.55 110.853 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' CD ' HH12 ' A' ' 24' ' ' ARG . 7.7 tt0 -75.32 126.35 87.87 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 115.761 -0.654 . . . . 9.91 110.854 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 16' ' ' GLU . 16.9 Cg_exo -66.86 139.2 51.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.477 2.118 . . . . 9.95 112.544 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.68 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 77.4 t80 -48.79 -61.06 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.026 0.38 . . . . 6.75 112.026 -176.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -62.47 -7.78 5.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.292 0.479 . . . . 13.72 112.292 -175.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.502 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 14.6 t70 -87.89 -48.38 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.974 -0.29 . . . . 11.24 110.391 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 4.5 p90 -75.2 -31.8 61.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.529 -0.468 . . . . 7.3 110.45 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.8 t -68.92 -24.95 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.999 -0.546 . . . . 6.77 109.763 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 23.3 t70 -67.61 -36.36 80.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.883 -0.599 . . . . 11.68 110.181 -178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -75.87 -35.22 59.96 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.421 -0.585 . . . . 11.36 109.421 177.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 83.4 t80 -62.08 -35.69 79.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.357 -0.838 . . . . 7.02 110.001 176.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.54 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 62.6 t80 -74.29 -34.16 63.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.815 -0.629 . . . . 11.44 109.694 -177.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 56.0 mtpt -58.23 -53.43 58.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.442 -0.799 . . . . 13.47 111.159 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.598 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 11.5 t -71.61 -25.56 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.954 -0.298 . . . . 9.35 110.447 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 22.3 tp -65.72 -30.86 71.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 9.09 110.439 -177.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 40.3 mtm180 -73.09 -27.78 61.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 14.19 110.336 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.63 -52.06 5.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.908 -0.587 . . . . 11.93 111.553 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.4 pt-20 -86.15 29.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.076 0.465 . . . . 10.89 111.368 -175.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -73.13 -5.44 39.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 11.52 110.961 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.13 -52.84 62.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.786 -0.643 . . . . 11.97 110.444 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 m -82.03 75.18 8.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.325 -0.621 . . . . 12.02 109.325 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.58 -42.39 92.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 12.14 112.251 -171.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -55.92 -48.97 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.448 0.536 . . . . 14.44 112.448 -176.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -78.12 -30.64 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 111.994 0.368 . . . . 11.61 111.994 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -28.89 42.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.108 0.48 . . . . 9.78 110.249 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.28 -22.03 59.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.524 0.678 . . . . 11.43 109.244 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.526 ' O ' HG22 ' A' ' 45' ' ' THR . . . -82.64 -41.85 18.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.513 -0.767 . . . . 11.43 109.647 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.673 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -58.95 -38.31 78.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.382 -0.826 . . . . 9.19 111.742 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 t -65.84 -35.0 79.44 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.467 -0.493 . . . . 7.35 111.046 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 45' ' ' THR . 11.3 pt-20 -85.78 -57.91 2.86 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.688 -0.405 . . . . 11.69 111.959 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 41' ' ' ALA . 14.6 t -86.21 -30.66 22.23 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.347 0.499 . . . . 11.34 112.347 -172.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.673 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 29.5 tp -83.91 -37.68 22.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.432 -0.507 . . . . 8.22 111.723 -174.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.1 mt -58.98 -34.7 72.13 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.48 -0.488 . . . . 5.99 111.441 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.49 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 17.0 m -82.04 -26.26 9.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.803 0.335 . . . . 8.67 110.923 176.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.2 -51.5 17.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.456 -0.338 . . . . 12.22 110.199 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -81.21 2.76 26.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.572 -0.286 . . . . 8.3 111.445 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -68.98 166.58 17.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 8.36 110.691 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.705 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 38.7 t30 -62.5 127.33 89.88 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.044 -0.724 . . . . 9.4 109.044 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.528 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 50.5 Cg_exo -36.79 -53.53 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.944 3.096 . . . . 11.66 114.001 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.4 -36.48 81.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.938 0.399 . . . . 10.64 111.352 -175.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.705 ' SG ' ' HB3' ' A' ' 52' ' ' ASN . 61.2 m -63.61 -54.33 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.833 -0.621 . . . . 8.04 110.979 -177.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' ' 53' ' ' PRO . 2.9 pttt -68.37 -23.9 64.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.161 0.505 . . . . 10.04 110.476 -177.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.1 m -63.14 -41.52 99.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.684 -0.689 . . . . 12.46 111.11 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 55' ' ' CYS . 2.9 pp -83.8 -22.37 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.771 -0.372 . . . . 11.46 111.671 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.591 HD11 ' SG ' ' A' ' 75' ' ' CYS . 66.2 mt -58.1 -42.77 86.39 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.263 0.554 . . . . 11.84 110.731 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -75.85 -21.75 56.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.893 -0.594 . . . . 14.91 110.543 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.22 -23.65 60.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 15.64 110.532 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 54.5 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-N 116.013 -0.54 . . . . 15.72 110.552 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 C--O 1.229 0.024 0 CA-C-O 120.363 0.125 . . . . 12.22 110.789 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.32 -25.25 62.33 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.338 0.589 . . . . 16.53 109.948 -176.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.38 -54.97 24.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.008 -0.996 . . . . 15.56 109.789 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.9 ptm -70.45 -28.19 64.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.681 -0.69 . . . . 10.3 110.721 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.68 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 46.9 ttp -68.76 -38.68 80.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.269 0.556 . . . . 11.15 109.788 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.3 m -84.26 -35.62 23.27 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.062 -0.972 . . . . 12.02 111.209 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.03 -52.7 11.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.978 -0.555 . . . . 9.32 112.233 -174.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.591 ' SG ' HD11 ' A' ' 59' ' ' LEU . 77.5 m -63.34 -24.22 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.402 0.519 . . . . 7.31 112.402 -173.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -81.11 115.31 20.48 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.098 -0.641 . . . . 10.66 110.244 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.65 -46.19 1.2 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.65 -0.786 . . . . 8.85 112.703 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.923 0.392 . . . . 8.24 110.851 -177.809 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.62 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 32.4 t70 . . . . . 0 C--O 1.227 -0.093 0 CA-C-O 121.079 0.466 . . . . 12.54 109.943 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.452 HD13 ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -53.05 85.34 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 113.813 1.042 . . . . 8.74 113.813 -177.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 2.4 ppt_? -135.68 131.61 35.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 13.19 110.108 173.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 13' ' ' GLY . 46.6 tt0 -75.44 135.09 40.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.947 -0.57 . . . . 8.1 112.04 -172.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.43 ' O ' ' HG2' ' A' ' 12' ' ' GLN . . . -100.39 -172.89 29.71 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.036 -0.825 . . . . 9.01 111.036 172.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.61 -13.55 20.14 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.793 2.329 . . . . 10.91 113.379 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -107.47 -34.48 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 13.55 111.546 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.642 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 2.9 tp10 -74.27 125.81 89.6 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.154 -0.476 . . . . 9.91 110.848 -177.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.36 131.8 31.34 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.491 2.127 . . . . 9.95 111.845 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.592 ' H ' ' HB3' ' A' ' 76' ' ' GLN . 70.4 t80 -45.07 -60.09 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.699 0.629 . . . . 6.75 112.699 -173.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -61.15 -22.76 65.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.668 0.271 . . . . 13.72 111.681 -174.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.03 -43.95 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.78 -0.452 . . . . 11.24 109.78 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.642 ' CD1' ' HG2' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -71.01 -38.73 72.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 7.3 109.888 177.103 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 18' ' ' PHE . 88.1 t -63.96 -25.38 38.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.572 -0.74 . . . . 6.77 110.582 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 36.7 t70 -54.01 -47.34 71.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.324 -0.398 . . . . 11.68 110.856 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -26.76 23.51 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.604 -0.438 . . . . 11.36 110.898 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.452 ' CE2' HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -59.38 -37.9 79.15 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.581 0.705 . . . . 7.02 109.864 173.129 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.54 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 67.0 t80 -77.12 -31.42 55.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.431 -0.804 . . . . 11.44 110.065 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 29.6 mmmt -60.16 -49.45 77.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.551 -0.749 . . . . 13.47 111.395 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -65.99 -25.09 66.93 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.872 0.368 . . . . 9.35 110.595 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 25' ' ' PHE . 3.5 mm? -72.93 -25.6 61.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 9.09 110.836 176.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.623 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 24.4 mmm180 -74.72 -21.2 59.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.084 0.469 . . . . 14.19 110.472 178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.88 -46.95 61.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.065 -0.516 . . . . 11.93 110.621 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.454 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 11.6 pt-20 -87.46 46.46 1.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.98 -0.555 . . . . 10.89 111.775 -176.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.6 mm100 -56.38 -19.78 16.34 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.267 0.469 . . . . 11.52 112.267 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.36 -40.37 58.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.124 0.416 . . . . 11.97 112.124 -172.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.655 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 23.8 m -82.6 54.86 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.698 0.258 . . . . 12.02 111.698 -176.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -56.09 -44.45 79.04 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.352 0.501 . . . . 12.14 112.352 -174.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.85 -29.49 70.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.037 0.446 . . . . 14.44 110.829 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.4 t -80.21 -41.79 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.895 -0.593 . . . . 11.61 110.208 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.655 ' HG3' ' O ' ' A' ' 35' ' ' SER . 43.5 mtpt -59.39 -41.14 88.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.705 -0.679 . . . . 9.78 111.795 -175.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -55.67 -47.97 75.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 11.43 110.998 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.04 -27.06 35.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.192 -0.458 . . . . 11.43 111.054 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -72.3 -48.29 43.4 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.993 -0.549 . . . . 9.19 112.105 -176.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 p -57.66 -49.35 76.77 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.088 0.47 . . . . 7.35 111.841 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.01 -34.71 78.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.548 -0.751 . . . . 11.69 111.961 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -87.05 -40.4 14.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.856 0.36 . . . . 11.34 110.988 -177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 1.7 mm? -69.21 -47.37 64.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.597 -0.729 . . . . 8.22 112.418 -174.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 98.5 mt -61.69 -30.56 70.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.117 0.485 . . . . 5.99 110.148 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.44 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 51.0 t -82.03 -37.36 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.551 -0.75 . . . . 8.67 111.174 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -70.55 -46.44 63.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.494 -0.321 . . . . 12.22 110.625 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -87.47 16.2 5.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.043 -0.526 . . . . 8.3 111.573 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . -84.6 166.01 17.51 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.892 -0.41 . . . . 8.36 109.892 174.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.603 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 45.9 t30 -63.86 128.23 92.63 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.174 -0.676 . . . . 9.4 109.174 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.516 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 45.4 Cg_exo -37.35 -53.9 1.25 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.607 2.871 . . . . 11.66 113.677 -177.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.66 -42.16 92.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.475 0.655 . . . . 10.64 110.951 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.603 ' SG ' ' HB3' ' A' ' 52' ' ' ASN . 63.8 m -66.46 -44.78 81.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.815 -1.084 . . . . 8.04 111.839 -174.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -75.44 -23.29 56.91 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.254 -0.578 . . . . 10.04 110.398 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.567 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 49.0 m -65.59 -42.01 92.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.438 -0.801 . . . . 12.46 111.487 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.9 pt -75.01 -27.53 20.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 O-C-N 122.132 -0.355 . . . . 11.46 111.452 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 66.4 mt -52.52 -44.22 65.6 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 111.966 0.358 . . . . 11.84 111.966 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 57' ' ' THR . 9.9 ptmm? -73.89 -21.07 60.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 14.91 110.632 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.99 -12.62 60.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.066 -0.516 . . . . 15.64 110.826 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 C--N 1.333 -0.152 0 CA-C-N 116.403 -0.362 . . . . 15.72 110.538 176.175 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 71' ' ' MET . 2.9 tm? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.448 0.166 . . . . 12.22 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.0 -25.28 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.208 0.528 . . . . 16.53 109.663 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -64.48 -54.06 38.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.17 -0.923 . . . . 15.56 109.863 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 26.8 ptm -63.47 -30.39 71.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.916 -0.583 . . . . 10.3 110.563 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.501 ' HA ' ' CD2' ' A' ' 18' ' ' PHE . 58.5 ttp -73.83 -48.54 30.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.772 -0.649 . . . . 11.15 110.41 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.8 m -78.54 -38.25 40.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.169 -0.923 . . . . 12.02 112.09 -174.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 78' ' ' VAL . . . -66.39 -37.37 85.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.284 0.475 . . . . 9.32 112.284 -173.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.401 ' SG ' HD11 ' A' ' 59' ' ' LEU . 64.2 m -76.88 -32.69 57.65 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.948 0.351 . . . . 7.31 111.948 -175.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.592 ' HB3' ' H ' ' A' ' 18' ' ' PHE . 12.3 pt20 -86.64 116.38 24.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.272 0.558 . . . . 10.66 110.381 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.13 -12.96 58.85 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.141 -0.784 . . . . 8.85 111.141 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 74' ' ' ALA . 58.9 t . . . . . 0 N--CA 1.456 -0.157 0 C-N-CA 123.619 0.768 . . . . 8.24 111.412 -177.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 11' ' ' ARG . 25.1 t70 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 121.33 0.586 . . . . 12.54 110.942 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.23 10.54 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 116.204 -0.453 . . . . 8.74 112.033 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.565 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 1.1 ppt_? -70.94 144.84 50.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.107 -0.497 . . . . 13.19 109.908 176.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.478 ' HG3' ' H ' ' A' ' 13' ' ' GLY . 12.0 tp60 -140.56 172.49 12.64 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.133 -0.627 . . . . 8.1 112.471 -170.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.505 ' HA2' ' HB2' ' A' ' 52' ' ' ASN . . . -113.3 -177.64 19.48 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 114.977 -1.01 . . . . 9.01 111.449 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.64 0.8 9.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 10.91 112.279 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -99.25 7.55 45.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.519 -0.764 . . . . 13.55 111.137 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -120.93 128.98 25.51 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.365 -0.38 . . . . 9.91 110.293 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 42.9 Cg_exo -57.62 138.01 84.05 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.909 2.406 . . . . 9.95 112.929 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.616 ' HA ' ' CE1' ' A' ' 21' ' ' TYR . 76.6 t80 -45.02 -61.18 1.72 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.651 0.594 . . . . 6.75 111.896 -175.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.95 -15.03 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 13.72 111.784 -172.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.82 -48.41 16.57 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.397 -0.223 . . . . 11.24 110.397 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.616 ' CE1' ' HA ' ' A' ' 18' ' ' PHE . 28.5 p90 -81.08 -17.16 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.504 0.668 . . . . 7.3 111.107 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 18' ' ' PHE . 99.2 t -78.49 -24.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 115.571 -0.741 . . . . 6.77 109.403 172.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.74 -39.84 84.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.282 0.563 . . . . 11.68 109.918 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.609 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -72.6 -37.92 67.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.296 -0.865 . . . . 11.36 109.512 178.653 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.57 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 36.3 t80 -62.46 -32.67 73.59 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.183 -0.917 . . . . 7.02 110.782 175.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -84.18 -19.02 34.77 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.853 -0.339 . . . . 11.44 110.757 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.609 ' HD2' ' HA ' ' A' ' 24' ' ' ARG . 11.4 ptmt -75.67 -25.06 56.44 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.087 0.47 . . . . 13.47 109.986 -176.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.575 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 7.7 t -85.1 -29.53 24.78 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.092 -0.504 . . . . 9.35 110.021 172.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 80.8 mt -73.44 -36.2 65.87 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.295 -0.411 . . . . 9.09 110.981 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -69.57 -23.76 63.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.281 0.562 . . . . 14.19 110.055 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.03 -56.23 5.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.405 -0.816 . . . . 11.93 109.939 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.6 pt-20 -87.93 39.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.166 0.507 . . . . 10.89 110.556 176.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -68.14 -8.98 43.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 11.52 111.834 -175.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.37 -56.66 18.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 11.97 110.788 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -83.89 97.69 9.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.035 0.445 . . . . 12.02 110.558 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -72.43 -26.13 61.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.986 0.422 . . . . 12.14 110.574 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.03 -40.29 87.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.674 . . . . 14.44 111.038 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.6 t -68.85 -39.85 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.18 -0.464 . . . . 11.61 110.502 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -61.34 -44.26 97.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.117 0.484 . . . . 9.78 110.697 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -58.01 -49.08 78.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.5 -0.773 . . . . 11.43 110.926 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.27 85.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.077 -0.51 . . . . 11.43 110.988 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -65.17 -50.65 65.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.964 -0.562 . . . . 9.19 111.439 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 p -57.6 -33.17 67.93 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.542 0.571 . . . . 7.35 112.542 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -85.12 -59.64 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.452 0.538 . . . . 11.69 112.452 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.7 m -83.91 -36.75 23.1 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.391 0.515 . . . . 11.34 112.391 -172.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 2.7 tm? -88.15 -39.69 14.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.309 -0.405 . . . . 8.22 111.096 -171.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' A' ' 25' ' ' PHE . 63.8 tp -62.69 -37.33 86.01 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.905 0.383 . . . . 5.99 111.14 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.7 -26.6 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.074 0.464 . . . . 8.67 110.305 176.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -66.87 -48.83 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.978 -0.555 . . . . 12.22 110.773 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.478 ' OD1' ' HA ' ' A' ' 47' ' ' LEU . 3.2 p-10 -78.59 1.06 23.89 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.239 -0.437 . . . . 8.3 111.336 -177.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.45 153.31 21.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.624 -0.51 . . . . 8.36 109.624 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.505 ' HB2' ' HA2' ' A' ' 13' ' ' GLY . 8.7 t30 -66.87 137.12 94.66 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.125 -0.489 . . . . 9.4 109.884 176.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -37.09 -49.61 1.58 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 124.081 3.187 . . . . 11.66 114.136 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -63.42 -29.45 70.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.046 0.451 . . . . 10.64 111.772 -174.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 24.8 m -83.48 -42.89 16.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.805 -0.634 . . . . 8.04 111.181 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -77.19 -34.78 56.15 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.292 -0.413 . . . . 10.04 111.714 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.3 t -56.59 -32.34 65.14 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.374 -0.376 . . . . 12.46 111.395 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.5 pt -85.6 -38.13 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.718 -0.393 . . . . 11.46 110.985 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.9 mt -50.68 -46.36 58.66 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.027 0.38 . . . . 11.84 112.027 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -71.03 -25.22 62.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.294 -0.412 . . . . 14.91 111.475 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.41 -33.09 23.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.132 0.492 . . . . 15.64 110.397 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.639 -0.71 . . . . 15.72 111.473 179.114 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.643 0.258 . . . . 12.22 110.381 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 9.3 pt-20 -60.49 -42.24 95.91 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.392 0.516 . . . . 16.53 112.392 -174.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 11.4 pt-20 -84.95 -20.66 30.28 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.311 -0.556 . . . . 15.56 111.765 -172.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.8 ptp -84.95 -30.56 24.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.827 -0.434 . . . . 10.3 109.827 173.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.411 ' HG3' ' HB3' ' A' ' 18' ' ' PHE . 54.3 ttp -64.97 -51.25 62.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.74 -0.663 . . . . 11.15 109.975 175.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.3 m -66.28 -22.88 66.31 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.144 -0.935 . . . . 12.02 110.913 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.48 -28.57 52.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.021 -0.536 . . . . 9.32 111.98 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 65.8 m -97.24 -13.17 22.18 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.844 0.312 . . . . 7.31 111.844 -175.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 4.0 pp0? -80.09 116.64 20.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.279 0.562 . . . . 10.66 109.934 176.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.51 58.59 9.05 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.858 -0.687 . . . . 8.85 111.784 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 109.547 -0.538 . . . . 8.24 109.547 179.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 CA--C 1.519 -0.225 0 N-CA-C 111.079 0.029 . . . . 12.54 111.079 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 32.15 58.33 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 124.335 1.054 . . . . 8.74 113.167 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -135.26 163.72 29.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.288 0.566 . . . . 13.19 111.401 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.507 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 8.2 tt0 -97.62 136.36 38.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.938 -1.028 . . . . 8.1 110.707 -175.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.41 -170.98 25.83 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.254 -0.738 . . . . 9.01 111.254 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.85 -20.55 39.19 Favored 'Trans proline' 0 CA--C 1.527 0.159 0 C-N-CA 122.522 2.148 . . . . 10.91 113.004 -176.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -119.29 8.77 11.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.524 -0.307 . . . . 13.55 111.31 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.8 tp10 -98.0 124.07 48.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.337 -0.392 . . . . 9.91 110.625 -176.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 16' ' ' GLU . 11.5 Cg_exo -70.93 148.69 58.03 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.469 2.113 . . . . 9.95 112.506 176.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.535 ' HB2' ' HB2' ' A' ' 75' ' ' CYS . 50.7 t80 -51.45 -60.73 2.81 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.777 0.322 . . . . 6.75 111.427 -178.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -66.11 -2.19 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 13.72 112.288 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.572 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 12.5 t70 -89.32 -54.84 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.582 -0.525 . . . . 11.24 109.582 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -74.26 -28.92 61.44 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.625 -0.43 . . . . 7.3 110.263 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.502 HG22 HD11 ' A' ' 47' ' ' LEU . 66.2 t -65.35 -27.63 42.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.312 0.577 . . . . 6.77 109.557 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.572 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 2.4 t70 -62.48 -45.11 94.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.511 -0.768 . . . . 11.68 109.565 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.433 ' HD3' ' O ' ' A' ' 20' ' ' ASP . 5.5 mpt_? -67.22 -49.13 65.66 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.197 -0.91 . . . . 11.36 108.942 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 59.2 t80 -53.52 -34.38 57.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.713 -1.13 . . . . 7.02 111.77 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -87.67 -43.06 12.21 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 120.942 0.401 . . . . 11.44 110.363 -171.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -82.55 -20.64 36.2 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.467 -0.493 . . . . 13.47 111.522 -173.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.9 p -81.57 -29.42 33.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 9.35 109.827 172.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -61.53 -36.12 79.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.398 -0.819 . . . . 9.09 109.328 177.45 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -78.28 -20.78 50.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.364 -0.834 . . . . 14.19 110.41 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.06 -36.22 59.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 11.93 110.732 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.42 -154.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 10.89 109.844 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -59.84 104.87 0.33 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.473 0.654 . . . . 11.52 111.18 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.36 -19.46 60.43 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.691 -1.141 . . . . 11.97 112.094 -176.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -49.52 108.83 0.22 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.225 0.535 . . . . 12.02 111.161 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.52 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . 78.5 mt-30 -70.81 -25.04 62.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.565 -0.743 . . . . 12.14 112.437 -171.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -49.08 -45.41 43.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.354 0.501 . . . . 14.44 112.354 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.8 t -87.16 -36.25 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.4 0.619 . . . . 11.61 110.37 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.539 ' HD2' HD21 ' A' ' 29' ' ' LEU . 45.5 mmtm -71.73 -38.49 70.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.369 -0.832 . . . . 9.78 112.705 -170.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.52 ' ND2' ' HB3' ' A' ' 36' ' ' GLN . 94.2 m-20 -61.51 -48.63 80.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.561 0.22 . . . . 11.43 110.657 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.85 -31.89 71.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 11.43 111.061 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.34 -61.0 2.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.266 -0.425 . . . . 9.19 111.069 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.8 p -50.2 -38.29 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.57 0.952 . . . . 7.35 113.57 -172.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -52.15 -58.08 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.661 0.267 . . . . 11.69 111.66 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 p -84.57 -29.29 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.967 0.413 . . . . 11.34 111.826 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.49 -35.84 79.93 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.376 -0.375 . . . . 8.22 110.807 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.502 HD11 HG22 ' A' ' 22' ' ' VAL . 54.3 tp -65.7 -44.62 85.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.546 0.212 . . . . 5.99 111.291 -178.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 34.9 m -71.3 -28.39 32.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-O 120.89 0.376 . . . . 8.67 110.796 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -71.13 -21.46 62.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.11 -0.495 . . . . 12.22 110.671 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -95.81 20.48 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.015 -0.539 . . . . 8.3 111.37 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.507 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -93.61 -179.42 5.02 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.305 -0.558 . . . . 8.36 109.89 177.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.58 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 17.8 t-20 -76.01 139.9 69.69 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.604 -0.517 . . . . 9.4 109.604 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -38.92 -52.91 2.08 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.25 2.634 . . . . 11.66 113.211 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.615 ' O ' ' HB ' ' A' ' 57' ' ' THR . 5.1 t70 -69.29 -39.16 78.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 10.64 110.431 -177.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.623 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 81.0 m -64.19 -43.85 93.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.416 -0.811 . . . . 8.04 110.806 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HG3' ' HB3' ' A' ' 51' ' ' ALA . 4.7 mtpm? -60.82 -38.86 86.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.414 0.626 . . . . 10.04 109.416 175.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.615 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 85.5 m -55.01 -41.56 71.43 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.436 -1.256 . . . . 12.46 111.845 178.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.595 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 43.9 pt -86.4 -36.19 10.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 121.028 -0.269 . . . . 11.46 111.236 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 55.0 mt -55.71 -40.66 72.72 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.534 -0.303 . . . . 11.84 111.764 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -73.51 -19.01 61.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.893 0.378 . . . . 14.91 111.159 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.29 -41.78 19.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.345 -0.389 . . . . 15.64 110.964 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 1.9 pp . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 111.984 0.364 . . . . 15.72 111.984 -176.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tm? . . . . . 0 CA--C 1.533 0.303 0 CA-C-O 120.903 0.383 . . . . 12.22 110.539 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.86 -29.58 61.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.48 -0.327 . . . . 16.53 111.795 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.83 -48.13 55.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.343 0.592 . . . . 15.56 109.798 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.496 ' HB2' HD22 ' A' ' 59' ' ' LEU . 27.2 ptm -66.66 -23.54 66.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.211 -0.904 . . . . 10.3 110.321 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 40.2 ttm -65.41 -47.1 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.708 -0.678 . . . . 11.15 109.777 173.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.7 m -66.29 -34.72 78.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.257 -0.883 . . . . 12.02 110.882 176.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 78' ' ' VAL . . . -59.68 -38.65 82.1 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.477 0.547 . . . . 9.32 112.477 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 54.1 m -81.01 -41.99 21.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.736 0.303 . . . . 7.31 111.51 -176.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -71.3 116.08 11.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.176 0.512 . . . . 10.66 110.042 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.93 5.61 61.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.995 -0.621 . . . . 8.85 111.735 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 74' ' ' ALA . 36.7 t . . . . . 0 C--O 1.235 0.297 0 C-N-CA 123.812 0.845 . . . . 8.24 111.623 -176.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.743 0.306 . . . . 20.97 111.045 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -90.51 27.98 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.235 0.541 . . . . 22.1 111.314 -174.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 31.2 t -140.64 58.67 10.27 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.944 -0.571 . . . . 17.23 109.795 174.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 3' ' ' SER . 74.5 Cg_endo -95.34 -161.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 122.96 2.44 . . . . 15.76 112.52 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.4 m -66.74 -18.79 65.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.013 0.435 . . . . 15.79 110.667 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -56.21 -21.07 21.0 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.869 -0.605 . . . . 13.32 111.611 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.6 mm -75.55 -26.74 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.349 0.595 . . . . 12.15 110.372 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mp -83.91 -18.82 36.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 13.09 110.049 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -91.59 -43.85 9.4 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.313 -0.858 . . . . 12.54 111.942 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.487 HG13 ' HB2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER 33.27 29.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 116.028 1.862 . . . . 8.74 116.028 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.538 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -72.11 132.88 44.79 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 119.321 0.964 . . . . 13.19 110.371 -179.274 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.502 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 44.2 tt0 -63.82 129.18 39.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.986 -1.006 . . . . 8.1 111.724 -176.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.85 154.25 30.55 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.638 -0.985 . . . . 9.01 110.638 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.88 -23.06 48.93 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.762 2.308 . . . . 10.91 113.616 -174.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -91.73 -12.51 33.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.842 0.353 . . . . 13.55 110.892 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 4.2 tp10 -88.81 131.42 41.56 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.072 -0.513 . . . . 9.91 111.116 -169.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HA ' ' H ' ' A' ' 77' ' ' GLY . 19.4 Cg_endo -63.78 128.55 22.37 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.966 1.777 . . . . 9.95 111.178 171.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' O ' HG23 ' A' ' 22' ' ' VAL . 72.0 t80 -43.62 -61.36 1.42 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.829 0.706 . . . . 6.75 112.724 -172.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.543 ' HB3' HE21 ' A' ' 76' ' ' GLN . 9.5 tpt180 -64.56 -17.75 64.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.004 0.372 . . . . 13.72 112.004 -173.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . 16.6 t70 -78.02 -39.02 43.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.35 . . . . 11.24 110.299 -178.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.535 ' CD2' ' HD3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -79.76 -32.37 41.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.511 -0.551 . . . . 7.3 109.511 176.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 18' ' ' PHE . 94.4 t -65.35 -26.27 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.915 -0.584 . . . . 6.77 110.106 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -58.88 -40.12 83.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 11.68 111.685 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.696 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -84.53 -19.22 33.55 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.128 -0.629 . . . . 11.36 110.163 -177.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.487 ' HB2' HG13 ' A' ' 10' ' ' ILE . 88.2 t80 -69.14 -33.91 74.18 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.753 -0.832 . . . . 7.02 108.753 168.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -73.22 -28.07 61.96 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.149 -0.932 . . . . 11.44 109.365 -175.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 16.2 ptmt -75.04 -24.02 58.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.593 -0.73 . . . . 13.47 110.217 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.654 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 30.4 p -84.51 -35.61 22.8 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.204 -0.665 . . . . 9.35 109.204 174.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 52.6 tp -67.61 -34.04 76.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.347 -0.842 . . . . 9.09 110.219 -177.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -72.73 -25.84 61.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.58 -0.736 . . . . 14.19 110.681 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.0 -57.69 2.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.858 -0.61 . . . . 11.93 111.42 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.654 ' HG2' ' O ' ' A' ' 28' ' ' THR . 14.3 pt-20 -88.23 38.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.916 0.389 . . . . 10.89 111.837 -175.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 10.8 pt20 -84.01 41.53 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.22 0.533 . . . . 11.52 111.816 -177.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.88 -63.1 1.43 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.997 -0.547 . . . . 11.97 110.116 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.8 t -83.59 73.5 10.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 12.02 110.169 175.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.74 -31.19 68.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.484 . . . . 12.14 110.242 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.03 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.424 -0.807 . . . . 14.44 111.8 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.2 t -84.13 -34.75 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.019 0.438 . . . . 11.61 109.835 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.521 ' HE2' ' O ' ' A' ' 32' ' ' GLU . 44.9 mmtm -61.7 -52.48 64.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.6 . . . . 9.78 111.167 -178.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.443 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 8.7 t30 -60.87 -44.3 97.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.651 -0.25 . . . . 11.43 110.792 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.79 76.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 11.43 110.728 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.2 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.121 -0.491 . . . . 9.19 110.565 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 39' ' ' LYS . 66.2 p -48.54 -33.33 9.4 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.869 0.692 . . . . 7.35 112.869 -175.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 40' ' ' ASN . 45.5 mt-10 -55.09 -58.43 7.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.114 0.483 . . . . 11.69 111.236 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.9 t -85.07 -26.75 26.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.82 -0.627 . . . . 11.34 110.997 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.437 ' HB3' ' HA ' ' A' ' 43' ' ' THR . 3.0 tm? -64.53 -57.6 8.71 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 116.089 -0.505 . . . . 8.22 111.418 -175.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.495 HD12 HG22 ' A' ' 22' ' ' VAL . 3.4 mm? -64.49 -30.9 71.93 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.35 0.5 . . . . 5.99 112.35 -174.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.562 ' O ' ' HE2' ' A' ' 56' ' ' LYS . 35.6 m -77.55 -33.25 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.304 -0.558 . . . . 8.67 110.892 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -80.27 -22.73 41.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.741 . . . . 12.22 110.112 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.538 ' ND2' ' HA ' ' A' ' 11' ' ' ARG . 23.7 t-20 -69.16 -17.62 63.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.865 -1.062 . . . . 8.3 111.028 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -77.12 157.51 30.97 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.087 -0.506 . . . . 8.36 110.521 -175.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -69.66 145.51 95.01 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 108.382 -0.97 . . . . 9.4 108.382 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -37.76 -49.38 2.01 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.602 2.868 . . . . 11.66 113.644 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.65 -38.21 90.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.341 0.591 . . . . 10.64 111.192 -176.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.6 t -67.06 -49.13 66.16 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.065 -0.97 . . . . 8.04 112.285 -175.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.562 ' HE2' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -69.17 -29.06 66.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.746 -0.596 . . . . 10.04 110.033 178.149 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.401 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 55.2 m -61.0 -44.97 96.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.257 -0.883 . . . . 12.46 111.404 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.723 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.7 pt -73.44 -37.75 51.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.602 -0.439 . . . . 11.46 111.192 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 56' ' ' LYS . 27.3 mt -46.73 -48.5 20.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.976 0.417 . . . . 11.84 111.72 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 57' ' ' THR . 14.4 ptmt -79.59 -18.55 51.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.052 -0.522 . . . . 14.91 111.521 -177.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.47 -42.78 19.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.801 0.334 . . . . 15.64 111.085 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 1.7 pp -101.98 1.09 36.25 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.9 0.333 . . . . 15.72 111.9 -176.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.498 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -43.13 -52.99 5.74 Favored Glycine 0 CA--C 1.526 0.762 0 O-C-N 123.865 0.728 . . . . 16.17 114.053 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 63' ' ' GLY . 9.7 Cg_endo -54.59 -36.77 90.09 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.973 2.449 . . . . 17.44 113.662 177.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.65 -4.47 59.19 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.814 -0.708 . . . . 15.83 112.299 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HB1' ' N ' ' A' ' 71' ' ' MET . . . -121.76 108.06 13.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.953 0.406 . . . . 14.15 110.447 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.5 m -60.11 -73.22 0.09 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.562 -0.745 . . . . 15.45 112.55 -175.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -148.46 -54.64 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.133 0.492 . . . . 12.22 109.708 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -76.03 -28.48 57.74 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.057 -0.72 . . . . 16.53 109.057 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -65.43 -47.5 76.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.896 -1.047 . . . . 15.56 110.619 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.457 ' N ' ' HB1' ' A' ' 66' ' ' ALA . 17.0 ptp -69.48 -27.99 65.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.96 0.41 . . . . 10.3 110.291 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.439 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 59.6 ttp -69.76 -43.06 73.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 11.15 109.906 176.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.8 m -69.57 -33.12 72.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.54 -0.755 . . . . 12.02 110.445 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.68 -35.25 74.09 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.869 -0.605 . . . . 9.32 111.066 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 70.2 m -95.12 -4.4 46.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.881 -0.599 . . . . 7.31 111.293 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.543 HE21 ' HB3' ' A' ' 19' ' ' ARG . 92.8 mt-30 -80.4 114.67 19.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.136 -0.69 . . . . 10.66 109.136 171.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.436 ' H ' ' HA ' ' A' ' 17' ' ' PRO . . . 63.09 68.3 1.72 Allowed Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.708 -0.758 . . . . 8.85 111.438 -174.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.9 t -57.42 102.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-O 120.811 0.339 . . . . 8.24 110.689 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.86 16.24 67.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.05 -0.595 . . . . 10.49 112.131 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 83' ' ' HIS . . . 75.38 116.74 0.11 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.548 -0.358 . . . . 10.42 112.427 -176.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -56.69 -44.3 46.63 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.849 2.366 . . . . 12.1 112.397 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -106.68 16.86 39.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 11.07 111.868 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.424 ' CG ' ' HA3' ' A' ' 80' ' ' GLY . 14.4 m-70 -90.34 148.5 22.81 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.04 0.447 . . . . 10.71 110.042 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -82.49 -12.42 57.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.893 -0.594 . . . . 12.21 109.453 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.511 ' O ' ' HG ' ' A' ' 88' ' ' LEU . . . -58.24 -42.62 86.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.685 -1.143 . . . . 8.99 110.792 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.632 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 5.3 ptp180 -67.7 -34.6 77.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.167 -0.469 . . . . 10.56 110.913 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 49.1 t -71.8 -33.65 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.437 0.637 . . . . 7.9 110.043 -173.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 85' ' ' ALA . 4.0 pp -82.3 -34.53 28.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.39 -0.823 . . . . 8.66 109.541 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.02 77.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.657 -0.701 . . . . 7.41 110.735 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.632 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 52.5 mt-10 -65.67 -31.74 72.93 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.968 0.413 . . . . 8.34 110.42 177.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.6 -35.44 30.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.26 0.552 . . . . 7.39 110.202 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.426 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 4.3 mmt -66.33 -41.66 89.29 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.346 -0.843 . . . . 10.32 110.339 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.9 t -64.42 -38.87 92.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.905 -0.589 . . . . 9.14 110.111 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.51 ' HA ' HG21 ' A' ' 100' ' ' THR . 62.2 tt0 -61.67 -43.51 98.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.703 -0.68 . . . . 9.08 111.833 -173.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.2 p -76.68 -25.21 15.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.915 0.388 . . . . 10.49 111.19 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.8 m -83.72 -50.92 7.69 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.168 0.433 . . . . 11.8 112.168 -174.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -114.98 136.82 22.63 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.23 0.538 . . . . 11.34 111.305 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.643 ' O ' HG12 ' A' ' 101' ' ' ILE . 71.2 Cg_endo -75.46 -0.99 10.76 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.134 2.556 . . . . 12.7 112.555 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.53 62.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.163 0.506 . . . . 11.25 110.705 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.51 HG21 ' HA ' ' A' ' 94' ' ' GLN . 8.7 p -76.39 -25.17 54.3 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.769 -0.65 . . . . 10.63 111.28 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.643 HG12 ' O ' ' A' ' 98' ' ' PRO . 35.6 pt -79.96 -28.19 12.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.475 -0.49 . . . . 12.53 110.039 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.3 tpt -69.05 -43.37 74.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.962 -0.563 . . . . 13.25 109.846 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.4 HG22 ' HA ' ' A' ' 100' ' ' THR . 17.2 tt -75.51 -18.51 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.267 0.556 . . . . 11.41 109.803 178.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.42 -41.48 66.17 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.239 -0.652 . . . . 11.93 109.239 175.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -69.07 -40.42 78.48 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.717 -0.475 . . . . 14.37 109.717 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.34 -21.47 66.46 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.533 -0.758 . . . . 12.03 112.453 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -61.35 -22.36 64.85 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.064 0.459 . . . . 12.33 110.721 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -66.98 -25.21 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 14.51 110.43 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -79.89 -27.17 40.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.071 -0.513 . . . . 15.12 109.983 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -83.21 140.49 32.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.619 -0.719 . . . . 13.93 110.606 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -82.04 86.35 6.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.161 0.505 . . . . 14.01 110.183 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -83.82 20.86 1.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.681 -0.69 . . . . 14.43 110.714 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.545 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 25.5 tptt -81.28 12.11 3.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.766 -0.652 . . . . 12.41 111.329 -175.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.3 m -77.14 -14.83 59.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.314 0.578 . . . . 10.8 110.438 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.12 -30.63 50.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.512 -0.767 . . . . 11.44 111.784 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 22.3 pttp -61.68 124.95 22.14 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.302 0.572 . . . . 10.72 110.392 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' A' ' 125' ' ' HIS . 4.6 t -64.97 108.9 1.93 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.079 -0.964 . . . . 8.16 110.546 -171.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -72.94 65.12 0.73 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.767 -0.651 . . . . 7.76 112.01 -175.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 176.1 -32.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.378 -0.828 . . . . 8.9 109.176 175.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 17.4 m -99.38 -22.38 15.57 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.978 -0.555 . . . . 9.54 110.82 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.95 -32.23 7.7 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.858 -0.687 . . . . 9.05 113.753 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -109.68 163.01 13.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.946 0.373 . . . . 12.7 110.934 -173.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 9.5 pt-20 -88.42 25.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 12.54 111.446 -177.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.57 -22.05 78.69 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.79 -0.719 . . . . 11.83 111.468 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.475 ' HB2' ' SG ' ' A' ' 117' ' ' CYS . 1.9 m80 -131.06 -171.13 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.056 -0.72 . . . . 11.94 109.056 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.448 ' N ' HD13 ' A' ' 126' ' ' ILE . 0.1 OUTLIER -132.47 129.04 58.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 108.432 -0.951 . . . . 12.22 108.432 171.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -58.57 -19.03 34.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.075 -0.511 . . . . 9.79 112.258 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.431 ' HG3' ' OD1' ' A' ' 129' ' ' ASN . 18.4 ptpt -73.52 -24.6 60.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.568 -0.287 . . . . 13.15 111.391 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.431 ' OD1' ' HG3' ' A' ' 128' ' ' LYS . 6.1 m-20 -117.24 -18.75 9.87 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.005 0.431 . . . . 14.48 111.047 -176.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 43.9 t -88.58 100.36 13.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.116 0.484 . . . . 11.41 110.969 -176.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -98.49 100.96 12.26 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.926 -0.579 . . . . 17.31 109.629 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -151.41 117.69 3.23 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.763 -0.653 . . . . 11.89 110.824 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.63 70.79 2.65 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 123.006 2.47 . . . . 13.32 111.623 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -74.18 -74.1 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.647 -0.706 . . . . 12.3 109.814 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 136' ' ' LYS . 9.3 pttp -149.32 -167.41 2.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.663 . . . . 10.11 110.064 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 135' ' ' LYS . 45.3 mmtm 73.42 -30.52 0.21 Allowed 'General case' 0 C--O 1.232 0.16 0 O-C-N 124.373 1.046 . . . . 11.69 111.283 -175.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 135' ' ' LYS . . . 87.92 -126.53 8.1 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.053 -0.594 . . . . 9.53 112.013 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 145' ' ' GLY . 1.4 t -78.92 116.19 19.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.718 0.294 . . . . 12.01 110.756 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -95.8 -9.32 31.95 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.145 -0.687 . . . . 11.32 109.145 175.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -79.71 -54.82 5.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.119 -0.946 . . . . 16.11 112.146 -168.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 1.8 p -123.02 -19.22 6.15 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.418 -0.513 . . . . 13.97 111.433 -173.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -105.41 -44.79 1.41 Allowed Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.337 -0.935 . . . . 12.26 111.593 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 143' ' ' LYS . 2.2 tmtp? 71.82 -63.36 0.43 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.712 0.805 . . . . 15.88 110.257 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -85.19 -9.22 58.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.045 -0.525 . . . . 14.2 111.233 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 138' ' ' CYS . . . -166.19 -160.16 13.06 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.324 -0.941 . . . . 13.35 113.124 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 138' ' ' CYS . 25.6 t-80 77.72 144.87 0.08 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.671 1.189 . . . . 14.96 111.077 -175.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -76.49 115.54 16.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.611 -0.722 . . . . 15.24 110.842 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -18.19 65.19 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.387 0.514 . . . . 13.85 112.387 -177.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -81.96 -23.73 35.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.289 . . . . 16.38 111.175 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.82 20.21 18.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.204 0.526 . . . . 17.63 110.581 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 4.8 t -102.24 85.02 2.57 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.731 -0.668 . . . . 15.97 109.818 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 11.5 t -91.75 130.91 37.45 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.367 -0.605 . . . . 18.95 109.367 176.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.98 109.13 4.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.025 -0.534 . . . . 19.35 110.583 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -141.1 115.64 9.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.082 -0.508 . . . . 23.48 110.234 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 57.7 38.14 27.48 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.606 0.717 . . . . 22.51 110.666 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -137.33 -65.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.88 -0.6 . . . . 23.3 110.364 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.304 -0.855 . . . . 24.3 109.3 178.305 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.859 0.361 . . . . 20.97 110.583 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -155.54 104.6 2.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.72 -0.474 . . . . 22.1 109.72 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 m -123.76 94.45 45.99 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.031 -0.531 . . . . 17.23 110.692 -177.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.18 168.83 22.21 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.635 2.223 . . . . 15.76 112.356 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 m -63.94 -23.2 67.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 15.79 111.49 -177.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -57.43 -17.58 13.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 13.32 111.939 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 10' ' ' ILE . 68.0 mt -79.88 -36.0 16.7 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 CA-C-O 121.022 0.439 . . . . 12.15 110.617 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 8' ' ' LEU . 6.4 mp -83.19 -19.49 36.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.662 0.744 . . . . 13.09 109.676 177.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -105.97 28.42 7.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.899 -1.046 . . . . 12.54 110.849 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.527 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -66.64 40.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 113.62 0.97 . . . . 8.74 113.62 -178.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' HG2' ' OD1' ' A' ' 50' ' ' ASN . 81.7 mtt180 -76.34 150.44 36.87 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.127 -1.064 . . . . 13.19 108.127 172.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -127.69 157.13 41.12 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.089 -1.044 . . . . 8.1 113.36 -171.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.443 ' HA2' ' HB2' ' A' ' 52' ' ' ASN . . . -109.96 -172.69 20.42 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 114.2 -1.364 . . . . 9.01 111.205 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.632 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 93.8 Cg_endo -86.96 22.59 0.92 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.854 2.369 . . . . 10.91 112.942 -173.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.81 4.58 11.0 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.834 -0.346 . . . . 13.55 111.524 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.54 130.06 31.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 112.186 0.439 . . . . 9.91 112.186 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.09 146.1 51.22 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.369 2.046 . . . . 9.95 110.123 165.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.483 ' CG ' ' HA ' ' A' ' 72' ' ' MET . 82.4 t80 -45.57 -59.13 2.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.393 0.516 . . . . 6.75 112.393 -174.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 20' ' ' ASP . 6.6 ppt_? -58.63 -19.52 39.7 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.864 0.69 . . . . 13.72 112.864 -176.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.487 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 37.2 t70 -87.94 -42.22 12.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.324 0.583 . . . . 11.24 109.742 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -46.51 85.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 7.3 109.442 173.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.75 -29.69 47.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.162 -0.927 . . . . 6.77 111.241 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.09 -46.9 72.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 11.68 111.875 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -31.87 23.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.747 0.308 . . . . 11.36 110.386 -178.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.455 ' CD2' HD23 ' A' ' 47' ' ' LEU . 90.4 t80 -67.4 -29.97 69.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.445 -0.343 . . . . 7.02 110.88 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -75.1 -24.32 58.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.463 0.649 . . . . 11.44 109.476 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -62.95 -28.96 70.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.036 -0.984 . . . . 13.47 110.811 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -70.25 -34.83 73.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.096 0.474 . . . . 9.35 110.107 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 11.1 mp -66.58 -26.97 67.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.714 -0.675 . . . . 9.09 110.793 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -80.1 -27.78 39.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.053 -0.521 . . . . 14.19 110.299 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.44 -24.91 27.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.735 -0.666 . . . . 11.93 111.89 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 29' ' ' LEU . 11.6 pt-20 -86.02 -167.28 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 10.89 110.789 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -62.02 150.77 37.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.213 0.53 . . . . 11.52 110.352 175.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.93 -20.42 49.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.623 -0.717 . . . . 11.97 111.955 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.3 m -50.47 107.25 0.15 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.676 0.61 . . . . 12.02 111.814 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -74.1 -27.84 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.871 -0.604 . . . . 12.14 111.436 -176.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.38 -32.64 70.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.433 -0.349 . . . . 14.44 111.167 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.4 -36.57 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.37 -0.377 . . . . 11.61 110.374 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.68 -46.78 83.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.885 -0.598 . . . . 9.78 111.391 -175.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -63.42 -36.3 83.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.377 -0.374 . . . . 11.43 111.556 -176.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.04 -28.85 43.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.086 0.47 . . . . 11.43 110.916 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.38 -60.43 2.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 9.19 111.289 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 p -57.83 -31.18 66.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.866 -0.606 . . . . 7.35 112.484 -173.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 45' ' ' THR . 9.4 pt-20 -55.43 -49.19 73.05 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 121.002 -0.279 . . . . 11.69 110.96 -176.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 8.9 t -87.24 -35.51 18.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.074 0.464 . . . . 11.34 110.823 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -69.4 -36.87 77.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 8.22 111.456 -172.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.455 HD23 ' CD2' ' A' ' 25' ' ' PHE . 3.5 tm? -66.66 -47.33 72.83 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.775 0.321 . . . . 5.99 110.21 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.722 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 34.9 m -72.25 -27.08 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.991 0.424 . . . . 8.67 111.767 -176.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.538 ' HA ' ' NZ ' ' A' ' 56' ' ' LYS . 14.8 mm100 -76.64 -19.34 57.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.66 0.266 . . . . 12.22 111.4 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.42 ' OD1' ' HG2' ' A' ' 11' ' ' ARG . 14.2 t30 -96.81 10.76 37.94 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.175 -0.466 . . . . 8.3 111.546 -174.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.09 178.11 4.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.916 0.389 . . . . 8.36 110.982 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.443 ' HB2' ' HA2' ' A' ' 13' ' ' GLY . 22.5 t-20 -71.56 141.9 85.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.813 -0.63 . . . . 9.4 110.469 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 56' ' ' LYS . 58.9 Cg_exo -37.12 -50.51 1.56 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.547 2.832 . . . . 11.66 113.516 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' A' ' 57' ' ' THR . 10.8 t70 -65.07 -45.17 86.42 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.272 0.558 . . . . 10.64 111.034 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.632 ' SG ' ' HA ' ' A' ' 14' ' ' PRO . 58.4 m -64.31 -36.0 82.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.289 -0.868 . . . . 8.04 111.185 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.722 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 16.0 mtpp -70.58 -40.92 73.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.588 0.708 . . . . 10.04 109.311 175.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 18.4 m -54.03 -53.23 55.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.36 -1.291 . . . . 12.46 112.332 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.64 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 26.5 pt -57.53 -40.45 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.834 0.309 . . . . 11.46 111.834 -177.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.504 HD21 ' SG ' ' A' ' 75' ' ' CYS . 73.0 mt -59.57 -47.21 86.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.028 0.442 . . . . 11.84 111.157 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -80.31 -20.5 44.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.188 -0.46 . . . . 14.91 110.632 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.88 -13.19 59.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.23 -0.441 . . . . 15.64 111.006 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 66.1 mt -68.8 -34.85 76.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.084 0.469 . . . . 15.72 110.364 175.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.27 -74.89 0.43 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.82 -0.705 . . . . 16.17 112.336 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -69.77 -8.45 23.63 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.72 2.28 . . . . 17.44 112.701 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.81 3.08 71.24 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.667 -0.778 . . . . 15.83 111.996 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' HD12 ' A' ' 62' ' ' LEU . . . 68.23 106.06 0.05 Allowed 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 121.391 0.615 . . . . 14.15 111.443 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -72.16 -72.06 0.25 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 15.45 111.611 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -143.67 -63.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.152 -0.343 . . . . 12.22 110.298 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -70.24 -24.09 63.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.404 0.621 . . . . 16.53 109.961 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 66' ' ' ALA . 14.1 mt-10 -67.48 -49.0 65.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.201 -0.909 . . . . 15.56 110.196 178.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.408 ' HB3' ' HB1' ' A' ' 66' ' ' ALA . 20.8 ptp -68.97 -27.36 65.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 10.3 110.341 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.483 ' HA ' ' CG ' ' A' ' 18' ' ' PHE . 47.4 ttm -64.96 -51.98 58.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.122 0.487 . . . . 11.15 109.85 176.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.4 m -63.81 -28.97 70.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.262 -0.881 . . . . 12.02 111.15 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.2 20.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.67 -0.696 . . . . 9.32 111.682 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.504 ' SG ' HD21 ' A' ' 59' ' ' LEU . 72.0 m -87.58 10.63 17.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.995 0.369 . . . . 7.31 111.995 -176.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -104.78 123.27 47.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.378 -0.601 . . . . 10.66 109.378 173.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.7 17.21 76.47 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.662 -0.78 . . . . 8.85 111.915 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.78 117.48 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.299 0.571 . . . . 8.24 110.561 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.11 -4.58 77.93 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.874 -0.679 . . . . 10.49 111.879 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.43 130.99 41.23 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.874 -0.679 . . . . 10.42 111.498 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.38 75.94 0.51 Allowed 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.075 2.517 . . . . 12.1 112.985 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.65 65.42 2.9 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 116.003 -0.544 . . . . 11.07 112.294 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -79.14 74.6 5.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.723 0.773 . . . . 10.71 110.067 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 55.6 pttt -114.52 -6.48 12.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.264 -0.88 . . . . 12.21 111.608 -176.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.37 -30.56 70.61 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.776 0.322 . . . . 8.99 111.806 -172.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -42.9 52.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.397 -0.365 . . . . 10.56 110.753 -176.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.86 -31.17 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.878 -0.329 . . . . 7.9 111.015 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 84' ' ' LYS . 75.7 mt -69.25 -53.4 20.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.381 -0.372 . . . . 8.66 110.608 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.7 -30.17 67.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.127 0.489 . . . . 7.41 110.409 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.72 -54.16 31.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.618 -0.719 . . . . 8.34 111.165 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -78.37 -36.81 45.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.202 -0.453 . . . . 7.39 110.935 -171.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 57.6 ttp -61.47 -35.21 76.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.671 -0.695 . . . . 10.32 111.18 -174.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 m -83.66 -23.02 31.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.199 -0.455 . . . . 9.14 111.014 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -85.97 -46.12 10.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.993 -0.549 . . . . 9.08 111.647 -176.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 91' ' ' ALA . 68.0 t -61.66 -21.86 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.525 -0.307 . . . . 10.49 111.23 -176.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.2 m -53.95 -62.54 1.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.186 0.517 . . . . 11.8 111.21 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.581 ' O ' HG13 ' A' ' 101' ' ' ILE . 19.8 p-10 -144.89 69.7 14.69 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.851 -0.613 . . . . 11.34 110.348 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.1 -23.64 33.58 Favored 'Trans proline' 0 CA--C 1.518 -0.305 0 C-N-CA 122.276 1.984 . . . . 12.7 112.621 -172.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.63 -21.44 35.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.242 0.544 . . . . 11.25 109.836 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.3 m -86.19 -41.68 14.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.56 -0.745 . . . . 10.63 110.316 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 97' ' ' ASN . 44.6 mt -56.02 -43.76 76.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 121.302 0.572 . . . . 12.53 110.096 176.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 51.7 ttm -55.81 -43.86 77.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.978 -1.01 . . . . 13.25 112.123 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 38.2 pt -86.95 -28.45 5.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.124 0.416 . . . . 11.41 112.124 -172.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.402 ' HB3' HE21 ' A' ' 104' ' ' GLN . 19.6 mt-30 -87.87 -15.84 35.62 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.861 -0.336 . . . . 11.93 110.845 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -43.44 -57.41 3.09 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.935 0.772 . . . . 14.37 112.769 -172.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.94 -42.14 79.21 Favored Glycine 0 C--O 1.228 -0.254 0 C-N-CA 121.315 -0.469 . . . . 12.03 113.4 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -86.74 -39.2 16.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 12.33 111.849 -177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -77.15 -20.23 55.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.287 -0.415 . . . . 14.51 111.574 -172.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -63.86 -17.04 62.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.485 -0.325 . . . . 15.12 110.953 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -54.83 111.75 0.89 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.063 -0.517 . . . . 13.93 110.85 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.454 ' HG2' ' HG2' ' A' ' 112' ' ' ARG . 31.2 tt0 70.82 -75.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 124.026 0.829 . . . . 14.01 110.955 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.454 ' HG2' ' HG2' ' A' ' 111' ' ' GLN . 10.4 ptt180 175.51 -173.92 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.603 -0.517 . . . . 14.43 109.603 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.457 ' H ' ' HD3' ' A' ' 113' ' ' LYS . 0.3 OUTLIER -74.54 15.05 0.39 Allowed 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.491 0.552 . . . . 12.41 112.491 -175.067 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.4 p -85.89 -15.09 42.85 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.142 0.496 . . . . 10.8 110.294 173.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.2 p -82.67 2.56 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 115.797 -0.638 . . . . 11.44 110.81 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.53 ' HB2' ' HA ' ' A' ' 122' ' ' LYS . 23.8 pttm -63.11 129.34 39.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.12 0.486 . . . . 10.72 110.944 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 125' ' ' HIS . 3.1 t -69.49 99.33 1.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.806 -0.634 . . . . 8.16 109.615 177.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -75.78 65.9 1.98 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.867 0.841 . . . . 7.76 110.111 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.632 ' OD1' ' HA ' ' A' ' 134' ' ' ARG . 9.9 t30 -175.58 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.175 -1.375 . . . . 8.9 109.442 176.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 96.6 m -86.39 -23.73 26.02 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.836 -0.431 . . . . 9.54 109.836 172.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 135.41 -61.49 0.62 Allowed Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.791 -0.719 . . . . 9.05 112.886 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.53 ' HA ' ' HB2' ' A' ' 116' ' ' LYS . 23.3 pttm -174.35 29.36 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.902 0.382 . . . . 12.7 111.688 -172.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -88.86 163.99 15.4 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.563 -0.532 . . . . 12.54 109.563 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.97 47.65 3.38 Favored Glycine 0 CA--C 1.516 0.116 0 C-N-CA 121.111 -0.566 . . . . 11.83 112.542 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.627 ' HB2' ' SG ' ' A' ' 117' ' ' CYS . 17.0 m170 -105.53 -162.22 0.86 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.382 0.61 . . . . 11.94 110.093 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.473 ' N ' HD13 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -137.55 115.62 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 107.912 -1.144 . . . . 12.22 107.912 170.101 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.76 -19.4 27.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.051 0.389 . . . . 9.79 112.051 -172.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -74.12 -42.79 59.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 13.15 111.61 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -107.42 -21.44 12.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.478 -0.328 . . . . 14.48 111.332 -173.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.9 124.06 17.94 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.254 -0.43 . . . . 11.41 111.162 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -77.97 99.76 6.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.683 0.754 . . . . 17.31 110.359 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -166.67 139.13 2.99 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.285 -0.87 . . . . 11.89 108.874 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -45.59 105.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.215 2.61 . . . . 13.32 112.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.632 ' HA ' ' OD1' ' A' ' 119' ' ' ASN . 41.9 ttm180 -77.45 120.8 22.95 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.592 -0.731 . . . . 12.3 110.775 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -66.36 157.81 30.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.028 -0.987 . . . . 10.11 111.093 -177.59 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 136' ' ' LYS . 2.8 mptp? -104.68 75.89 1.24 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.338 -0.847 . . . . 11.69 109.095 -178.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 111.7 -111.5 2.91 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.214 -0.903 . . . . 9.53 112.965 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.698 ' SG ' ' HB2' ' A' ' 146' ' ' HIS . 74.5 m -81.34 152.46 27.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.557 0.678 . . . . 12.01 111.529 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -112.91 -24.58 9.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.589 -0.732 . . . . 11.32 110.963 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -95.04 -55.06 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.137 -0.483 . . . . 16.11 110.756 -174.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -9.89 59.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.967 -0.56 . . . . 13.97 111.177 -177.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 148.26 -109.57 0.46 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.385 -0.912 . . . . 12.26 112.191 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 138' ' ' CYS . 16.1 pttp -155.37 -71.76 0.12 Allowed 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 123.695 0.291 . . . . 15.88 111.452 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.21 0.35 40.24 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.727 -0.389 . . . . 14.2 111.725 -173.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -58.33 -37.88 88.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.667 -0.778 . . . . 13.35 111.168 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.698 ' HB2' ' SG ' ' A' ' 138' ' ' CYS . 10.8 m80 -130.01 157.1 43.27 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.207 -1.034 . . . . 14.96 108.207 174.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.41 ' HA ' ' OE1' ' A' ' 147' ' ' GLN . 16.6 mm-40 -85.7 15.38 4.76 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 121.183 -0.207 . . . . 15.24 110.908 177.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 1.4 tmt? 68.26 -54.71 0.52 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.965 0.906 . . . . 13.85 111.6 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -60.35 -42.28 95.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.271 0.557 . . . . 16.38 110.635 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -91.86 18.96 7.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.606 -0.724 . . . . 17.63 111.08 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 45.6 t -95.34 107.06 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.758 -0.46 . . . . 15.97 109.758 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 31.3 m -104.86 115.24 29.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.018 -0.537 . . . . 18.95 110.408 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -91.67 108.23 19.76 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.437 -0.579 . . . . 19.35 109.437 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -151.36 133.89 15.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.456 -0.338 . . . . 23.48 110.59 -175.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -87.86 38.31 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.969 0.414 . . . . 22.51 111.086 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -96.63 -0.54 48.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.325 0.583 . . . . 23.3 110.393 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 17.9 m120 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.512 -0.756 . . . . 24.3 109.589 179.148 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.453 ' HG3' ' H ' ' A' ' 2' ' ' TYR . 17.4 ptt? . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.352 0.12 . . . . 20.97 111.062 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.453 ' H ' ' HG3' ' A' ' 1' ' ' MET . 42.9 p90 -171.62 146.91 2.24 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.896 -0.409 . . . . 22.1 109.896 177.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m -130.64 86.86 51.53 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.326 -0.397 . . . . 17.23 110.585 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.503 ' O ' HG12 ' A' ' 7' ' ' ILE . 66.5 Cg_endo -96.04 171.22 1.13 Allowed 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.304 2.67 . . . . 15.76 112.074 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 m -81.67 -14.3 56.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.569 0.699 . . . . 15.79 109.964 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -61.51 -17.1 53.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.368 -0.833 . . . . 13.32 112.059 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 4' ' ' PRO . 23.7 pt -78.72 -14.04 13.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.137 0.494 . . . . 12.15 110.612 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp -83.12 -18.18 40.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.296 0.569 . . . . 13.09 109.49 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -103.43 26.29 8.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.543 -0.753 . . . . 12.54 110.528 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.434 ' H ' HG12 ' A' ' 10' ' ' ILE . 6.1 pt -71.15 63.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.827 -0.624 . . . . 8.74 112.491 -176.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 12.0 ptp180 -133.05 172.75 12.22 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.273 -0.639 . . . . 13.19 109.273 174.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -122.75 143.24 49.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.168 0.509 . . . . 8.1 111.595 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.25 169.3 18.53 Favored Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.862 -0.895 . . . . 9.01 110.862 170.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.52 -34.78 84.8 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.409 2.073 . . . . 10.91 112.512 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -94.42 3.65 54.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.388 -0.369 . . . . 13.55 111.267 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -82.29 128.53 67.09 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.79 0.328 . . . . 9.91 110.779 -175.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.94 112.07 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.416 2.077 . . . . 9.95 110.452 170.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -51.96 -35.58 46.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.509 -0.769 . . . . 6.75 111.25 -176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 72.1 ttt180 -71.08 -18.89 62.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.303 -0.408 . . . . 13.72 111.871 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -86.81 -59.61 2.22 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.301 -0.559 . . . . 11.24 111.79 -172.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.536 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 6.2 m-85 -75.59 -24.66 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.475 -0.49 . . . . 7.3 111.896 -175.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.7 t -79.57 -25.46 12.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.132 0.491 . . . . 6.77 109.868 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 20.9 t70 -61.79 -36.54 81.39 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.97 -0.752 . . . . 11.68 108.97 171.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.536 ' HD2' ' HA ' ' A' ' 21' ' ' TYR . 31.6 mtt180 -70.24 -35.47 73.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.173 -0.921 . . . . 11.36 109.679 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.499 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 66.4 t80 -61.67 -34.3 75.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.208 -0.905 . . . . 7.02 110.046 177.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -81.59 -36.67 28.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.795 -0.639 . . . . 11.44 109.911 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 41.9 mmtm -60.51 -43.56 96.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.79 -0.641 . . . . 13.47 111.533 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 12.9 t -68.22 -27.59 66.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.929 0.395 . . . . 9.35 110.561 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 85.8 mt -74.42 -24.82 59.15 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.913 0.387 . . . . 9.09 110.043 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -71.62 -34.47 69.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.839 -0.619 . . . . 14.19 110.572 175.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.62 -57.62 6.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.182 -0.463 . . . . 11.93 110.511 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.0 pt-20 -89.86 43.81 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.179 0.514 . . . . 10.89 110.651 176.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -63.17 -13.64 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.995 -0.548 . . . . 11.52 112.062 -175.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.4 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.085 0.469 . . . . 11.97 110.63 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 15.4 m -82.73 54.24 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.102 -0.499 . . . . 12.02 111.374 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -67.62 -33.6 75.31 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.249 0.547 . . . . 12.14 110.435 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -55.83 -33.5 64.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.054 -0.975 . . . . 14.44 111.204 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.1 t -81.8 -38.22 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.185 -0.461 . . . . 11.61 110.075 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 35' ' ' SER . 97.1 mttt -53.97 -42.24 68.73 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.474 -0.785 . . . . 9.78 111.624 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -43.42 -56.05 3.81 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.765 0.666 . . . . 11.43 112.096 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.1 -44.6 14.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.224 -0.444 . . . . 11.43 110.529 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.72 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -60.37 -53.92 51.78 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.787 -0.642 . . . . 9.19 112.261 -173.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.6 t -58.28 -31.31 67.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.911 0.386 . . . . 7.35 111.507 -170.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -84.01 -44.48 14.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.377 -0.374 . . . . 11.69 111.384 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.453 ' O ' HG12 ' A' ' 48' ' ' VAL . 9.9 t -84.11 -27.13 28.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.11 0.481 . . . . 11.34 110.573 -174.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.72 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -72.41 -51.23 21.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.063 -0.517 . . . . 8.22 110.779 178.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.5 tp -67.48 -26.29 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.763 0.316 . . . . 5.99 110.246 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 45' ' ' THR . 1.6 p -81.82 -30.68 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 8.67 110.735 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -81.75 -47.05 13.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.209 0.528 . . . . 12.22 110.646 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 7.3 m-20 -70.28 -15.69 62.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.528 -0.76 . . . . 8.3 112.25 -176.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.27 151.78 41.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.03 0.443 . . . . 8.36 110.012 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -69.0 135.39 89.6 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.804 -0.634 . . . . 9.4 109.468 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.426 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 3.6 Cg_exo -38.88 -50.32 2.57 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.93 3.087 . . . . 11.66 113.327 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.59 -46.65 89.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.838 -0.619 . . . . 10.64 112.276 -174.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.617 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 30.6 p -75.66 -41.02 55.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.077 -0.51 . . . . 8.04 111.709 -170.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' ' 53' ' ' PRO . 3.6 pttp -72.61 -23.68 60.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.288 0.566 . . . . 10.04 109.93 178.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.53 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 20.3 m -68.71 -45.27 72.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.611 -0.722 . . . . 12.46 111.189 173.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 55' ' ' CYS . 2.8 pp -74.8 -24.14 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.263 0.468 . . . . 11.46 112.263 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 66.8 mt -56.03 -45.47 79.14 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.846 0.355 . . . . 11.84 111.637 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -70.11 -20.87 63.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.465 . . . . 14.91 111.536 -174.393 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.47 -34.45 23.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.967 0.413 . . . . 15.64 110.723 176.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 70.6 mt -81.84 -27.95 33.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.869 -0.605 . . . . 15.72 112.114 -177.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -32.87 -59.58 0.44 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 115.245 0.858 . . . . 16.17 115.245 -174.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -57.24 -53.49 4.75 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.71 2.274 . . . . 17.44 114.255 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.07 -9.7 56.86 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.504 -0.855 . . . . 15.83 113.469 -169.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.529 ' HB3' ' HB3' ' A' ' 62' ' ' LEU . . . -117.4 134.8 54.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.155 0.502 . . . . 14.15 111.178 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.1 p -87.45 -178.69 6.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.535 -0.757 . . . . 15.45 110.487 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -53.06 -45.51 68.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.47 -0.332 . . . . 12.22 111.194 -175.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -72.31 -27.62 62.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.882 0.372 . . . . 16.53 111.45 -173.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.429 ' HB2' ' HB1' ' A' ' 66' ' ' ALA . 14.7 mt-10 -81.09 -35.49 31.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.938 0.399 . . . . 15.56 110.565 -175.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.9 ptp -76.3 -28.08 56.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.569 -0.53 . . . . 10.3 109.569 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' A' ' 19' ' ' ARG . 58.0 ttp -68.25 -40.89 81.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.926 -0.579 . . . . 11.15 110.228 175.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.477 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 32.7 m -69.33 -29.13 66.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.698 -0.683 . . . . 12.02 110.487 176.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.81 62.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.532 -0.758 . . . . 9.32 111.773 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.407 ' SG ' HD11 ' A' ' 58' ' ' ILE . 74.7 m -86.23 -24.71 25.94 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.322 0.49 . . . . 7.31 112.322 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.477 ' NE2' ' HA ' ' A' ' 73' ' ' THR . 10.6 pt20 -80.01 114.95 19.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.382 0.61 . . . . 10.66 110.298 -178.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.86 56.37 4.52 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.693 -0.765 . . . . 8.85 112.543 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 t -76.34 77.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.301 -0.629 . . . . 8.24 109.301 173.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.515 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 78.98 -0.82 77.31 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.692 -0.686 . . . . 10.49 111.901 -177.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.78 -131.96 11.5 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.503 -0.639 . . . . 10.42 111.503 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.511 ' HD2' ' CE1' ' A' ' 83' ' ' HIS . 21.7 Cg_exo -67.17 -151.94 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.425 0 C-N-CA 122.995 2.463 . . . . 12.1 112.161 174.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.64 61.99 2.8 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 121.074 -0.584 . . . . 11.07 112.829 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.511 ' CE1' ' HD2' ' A' ' 81' ' ' PRO . 30.5 m170 -93.05 -165.21 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.698 0.285 . . . . 10.71 110.596 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.59 ' O ' HG22 ' A' ' 87' ' ' VAL . 24.3 pttm -71.51 21.47 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.94 -0.573 . . . . 12.21 112.231 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.515 ' HB2' ' HA3' ' A' ' 79' ' ' GLY . . . -52.22 -20.0 2.36 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.427 0.691 . . . . 8.99 112.55 -174.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -59.96 -35.34 74.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.369 -0.378 . . . . 10.56 110.874 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 84' ' ' LYS . 5.4 m -74.94 -20.5 16.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.376 . . . . 7.9 110.056 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 82.2 mt -78.03 -41.3 36.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 8.66 109.534 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.5 -29.27 69.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.415 0.626 . . . . 7.41 109.734 174.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -70.47 -39.19 74.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.404 -0.816 . . . . 8.34 110.298 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.69 -20.48 58.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 7.39 110.112 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.578 ' HA ' HG22 ' A' ' 95' ' ' VAL . 16.3 tpt -49.12 -36.98 20.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.12 -0.945 . . . . 10.32 111.63 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.1 t -68.28 -27.89 66.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.303 -0.408 . . . . 9.14 110.812 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -87.11 -46.08 10.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.882 0.373 . . . . 9.08 111.129 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 92' ' ' MET . 33.0 m -67.5 -20.15 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 112.141 0.422 . . . . 10.49 112.141 -174.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -20.1 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.237 0.542 . . . . 11.8 110.839 175.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -123.79 72.41 52.47 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 108.125 -1.065 . . . . 11.34 108.125 173.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.27 -5.29 13.5 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.641 2.227 . . . . 12.7 113.209 -168.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.83 -31.37 63.18 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.908 -0.587 . . . . 11.25 110.879 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.0 p -90.55 -65.15 1.04 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.497 0.665 . . . . 10.63 111.555 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.8 mm -85.78 -53.21 10.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.076 -0.965 . . . . 12.53 112.132 -170.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.9 ttt -62.38 -33.21 74.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.459 -0.791 . . . . 13.25 112.08 -167.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.4 tt -88.15 -34.05 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.074 -0.65 . . . . 11.41 110.855 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -69.76 -51.48 33.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 11.93 110.159 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -65.92 -21.06 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 14.37 110.865 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.42 -62.78 2.36 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.515 -0.85 . . . . 12.03 111.969 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.71 -41.62 71.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.197 0.443 . . . . 12.33 112.197 -173.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -65.7 -36.63 84.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.325 . . . . 14.51 111.106 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -80.1 -51.47 8.97 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.913 -0.315 . . . . 15.12 110.424 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -174.86 -75.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 13.93 110.947 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -177.85 147.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.456 -0.942 . . . . 14.01 108.456 177.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -60.12 -48.31 82.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 118.414 0.552 . . . . 14.43 110.764 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -82.05 15.73 2.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 12.41 112.359 -175.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 4.1 t -74.1 -14.48 60.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.139 0.495 . . . . 10.8 110.194 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.464 ' O ' ' HA2' ' A' ' 124' ' ' GLY . 9.6 t -84.13 1.11 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.542 -0.754 . . . . 11.44 110.333 -178.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -108.09 135.46 49.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.997 0.427 . . . . 10.72 110.114 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.72 ' SG ' ' HB2' ' A' ' 125' ' ' HIS . 80.0 m -75.93 100.34 4.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.943 -0.571 . . . . 8.16 111.072 175.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -78.39 64.99 3.6 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.217 0.532 . . . . 7.76 109.568 171.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.554 ' HB3' ' HA ' ' A' ' 134' ' ' ARG . 27.5 p-10 -177.54 -43.42 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 114.81 -1.086 . . . . 8.9 111.171 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.45 5.81 50.07 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.023 0.44 . . . . 9.54 110.797 -177.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.85 52.7 0.64 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.583 -0.818 . . . . 9.05 113.492 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt 44.71 39.05 3.14 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.826 0.85 . . . . 12.7 111.844 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -93.24 155.67 17.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.07 -0.514 . . . . 12.54 110.011 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 115' ' ' VAL . . . -79.73 46.71 3.15 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 114.588 0.595 . . . . 11.83 114.588 -171.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.72 ' HB2' ' SG ' ' A' ' 117' ' ' CYS . 19.4 m80 -108.25 -140.47 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.032 -0.729 . . . . 11.94 109.032 173.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -129.94 130.23 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 108.544 -0.91 . . . . 12.22 108.544 168.414 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.34 -20.01 57.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.912 -0.586 . . . . 9.79 112.222 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -83.68 -5.16 59.12 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.894 0.331 . . . . 13.15 111.894 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -107.31 -24.42 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.755 -0.378 . . . . 14.48 111.101 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 98.2 m -91.16 130.93 36.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.446 -0.343 . . . . 11.41 110.675 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -78.87 98.67 6.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.885 0.85 . . . . 17.31 110.826 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -167.25 151.17 6.33 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 114.675 -1.148 . . . . 11.89 108.601 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.31 86.42 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.881 2.387 . . . . 13.32 112.279 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.554 ' HA ' ' HB3' ' A' ' 119' ' ' ASN . 7.7 ptt180 -76.35 154.65 34.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.864 -0.607 . . . . 12.3 111.446 -176.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.653 ' HG3' ' SD ' ' A' ' 148' ' ' MET . 0.1 OUTLIER 66.6 -87.23 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 114.937 -1.028 . . . . 10.11 108.299 -171.68 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.3 tptp 47.68 33.58 3.16 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.857 0.723 . . . . 11.69 112.586 170.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 90.59 -122.13 6.52 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.282 -0.961 . . . . 9.53 112.56 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 85.8 m -112.32 108.46 17.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.019 0.378 . . . . 12.01 112.019 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.401 ' CZ2' ' HA ' ' A' ' 119' ' ' ASN . 74.7 m95 -82.06 -13.5 57.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.013 0.435 . . . . 11.32 110.576 169.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -95.38 -55.1 3.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.083 -0.508 . . . . 16.11 110.967 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 60.1 m -69.4 -18.4 63.76 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.788 0.328 . . . . 13.97 110.702 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.13 5.07 75.05 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 120.93 -0.652 . . . . 12.26 112.678 -178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -109.0 -174.08 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.058 0.456 . . . . 15.88 110.691 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -110.78 29.31 7.87 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.607 -0.724 . . . . 14.2 110.326 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -89.01 -81.4 1.3 Allowed Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.866 -0.683 . . . . 13.35 113.58 -172.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -63.31 143.27 57.95 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 110.121 -0.326 . . . . 14.96 110.121 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -86.23 48.1 1.56 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.98 0.419 . . . . 15.24 111.094 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.653 ' SD ' ' HG3' ' A' ' 135' ' ' LYS . 25.7 ttt 68.03 -54.96 0.51 Allowed 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.085 -0.961 . . . . 13.85 112.587 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -69.57 -38.67 77.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.125 0.488 . . . . 16.38 110.668 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -74.02 -10.75 59.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.724 -0.671 . . . . 17.63 110.462 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 4.9 t -78.14 83.06 4.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.998 -0.741 . . . . 15.97 108.998 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 1.9 p -107.27 152.36 24.23 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.776 -0.647 . . . . 18.95 111.39 -175.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -111.93 124.82 53.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.875 -0.602 . . . . 19.35 109.765 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 67.49 149.93 0.06 Allowed 'General case' 0 C--O 1.236 0.389 0 O-C-N 123.801 0.688 . . . . 23.48 111.899 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 72.38 -64.91 0.38 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.318 -0.856 . . . . 22.51 111.717 176.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -93.11 99.25 11.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.47 -0.332 . . . . 23.3 110.953 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.449 -0.786 . . . . 24.3 110.184 179.833 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.617 -0.512 . . . . 20.97 109.617 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.4 t80 60.82 31.68 20.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 122.086 0.946 . . . . 22.1 108.721 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 p -145.98 153.84 50.09 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 114.855 -1.066 . . . . 17.23 109.558 -174.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -75.24 39.24 0.59 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.507 2.138 . . . . 15.76 112.14 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.421 ' HA ' HD11 ' A' ' 8' ' ' LEU . 20.8 m -89.26 -25.7 21.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.659 0.742 . . . . 15.79 110.17 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.698 ' O ' HG23 ' A' ' 10' ' ' ILE . 10.3 m -65.03 -21.32 66.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.464 -0.789 . . . . 13.32 111.366 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.492 ' O ' HG12 ' A' ' 10' ' ' ILE . 42.8 pt -82.91 -30.06 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 112.287 0.477 . . . . 12.15 112.287 -169.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.777 HD13 ' H ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -85.91 -18.43 32.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.619 0.723 . . . . 13.09 109.781 174.718 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.497 ' N ' HD22 ' A' ' 8' ' ' LEU . 29.2 t70 -76.0 -23.62 55.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.493 -1.231 . . . . 12.54 111.446 -177.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.698 HG23 ' O ' ' A' ' 6' ' ' SER . 11.5 pt -76.79 55.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.796 0.808 . . . . 8.74 112.392 -173.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -127.57 157.68 39.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.63 -0.714 . . . . 13.19 109.282 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.47 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 40.7 tt0 -108.45 142.69 38.45 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.455 -0.339 . . . . 8.1 111.011 -172.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.83 159.61 34.63 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.235 -0.746 . . . . 9.01 111.235 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -42.64 -49.37 6.58 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.667 2.911 . . . . 10.91 114.216 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 14.35 18.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.356 . . . . 13.55 111.717 -174.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.77 131.52 92.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 9.91 110.973 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -58.47 119.13 6.18 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.481 2.12 . . . . 9.95 110.828 173.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.715 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 44.3 t80 -53.59 -30.41 42.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.517 -0.765 . . . . 6.75 111.429 -177.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -58.78 -34.56 71.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 13.72 111.09 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 29.4 t70 -85.73 -34.35 21.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.057 0.456 . . . . 11.24 110.491 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.485 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 11.1 t80 -57.37 -35.08 69.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.686 0.755 . . . . 7.3 109.889 171.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 18' ' ' PHE . 47.8 t -72.38 -38.75 61.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.056 -0.975 . . . . 6.77 110.392 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 10.9 t70 -52.14 -47.15 65.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.54 -0.754 . . . . 11.68 111.819 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HG3' ' HA ' ' A' ' 10' ' ' ILE . 4.6 ptm180 -72.92 -39.74 66.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 11.36 110.011 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.692 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 51.8 t80 -64.18 -27.82 69.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.446 -0.797 . . . . 7.02 110.984 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -79.47 -39.77 31.38 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.4 0.619 . . . . 11.44 109.798 -176.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 9.7 mtmp? -64.38 -29.12 70.19 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.463 -0.79 . . . . 13.47 112.349 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.55 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 14.8 t -77.74 -30.78 51.77 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.269 -0.573 . . . . 9.35 110.25 176.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 81.1 mt -70.43 -32.18 69.66 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.457 -0.338 . . . . 9.09 111.109 -177.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 23.5 ptt180 -70.49 -22.46 62.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.405 0.621 . . . . 14.19 110.278 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -56.21 4.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.352 -0.84 . . . . 11.93 110.544 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.3 pt-20 -86.65 52.01 2.39 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.667 0.746 . . . . 10.89 111.153 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -64.17 -17.56 63.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.552 -0.749 . . . . 11.52 111.849 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.39 -38.84 29.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.841 0.353 . . . . 11.97 111.091 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m -81.89 69.23 8.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.984 -0.553 . . . . 12.02 111.103 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -71.36 -43.47 66.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.951 -0.568 . . . . 12.14 111.091 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -68.39 -28.46 67.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.282 0.563 . . . . 14.44 110.675 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -71.45 -45.52 68.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.609 -0.723 . . . . 11.61 110.675 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -74.57 -23.61 58.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.167 0.508 . . . . 9.78 110.535 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -67.81 -30.15 69.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.602 -0.726 . . . . 11.43 109.243 175.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.99 -37.66 21.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.336 -0.847 . . . . 11.43 110.02 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.531 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -59.13 -36.84 75.91 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.163 -0.926 . . . . 9.19 111.872 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 47' ' ' LEU . 17.8 p -60.26 -43.02 96.5 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.978 0.418 . . . . 7.35 111.439 -178.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -85.75 -44.06 12.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.525 0.565 . . . . 11.69 112.525 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.0 m -83.87 -45.28 13.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.159 0.504 . . . . 11.34 111.507 -175.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.531 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 2.1 tm? -87.76 -51.44 5.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.841 -0.618 . . . . 8.22 111.262 -171.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.528 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.5 tm? -67.36 -25.87 66.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.716 0.769 . . . . 5.99 109.891 -172.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 55.5 t -81.31 -48.47 18.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.875 -0.602 . . . . 8.67 110.938 176.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -71.65 -32.5 67.99 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.175 0.435 . . . . 12.22 112.175 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 1.4 m-20 -81.44 2.1 30.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.209 0.818 . . . . 8.3 113.209 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.064 ' HB3' ' HD3' ' A' ' 56' ' ' LYS . . . -105.71 -179.93 4.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 118.916 -1.114 . . . . 8.36 111.008 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.512 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 39.1 t30 -62.64 121.17 65.97 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.71 -0.677 . . . . 9.4 110.092 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -38.39 -52.82 1.88 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.394 2.729 . . . . 11.66 112.881 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.81 -46.92 71.25 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.879 0.737 . . . . 10.64 112.029 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.554 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 65.5 m -60.34 -41.33 93.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.447 -0.797 . . . . 8.04 111.186 -176.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 1.064 ' HD3' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.23 -22.99 41.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.456 0.646 . . . . 10.04 111.705 176.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.597 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 55.2 m -66.68 -45.89 77.41 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.952 -1.022 . . . . 12.46 111.261 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 42.1 pt -68.4 -30.16 46.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 111.622 0.23 . . . . 11.46 111.622 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 46.2 mt -53.29 -43.43 67.51 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.351 0.5 . . . . 11.84 112.351 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 57' ' ' THR . 13.1 pttp -71.31 -20.41 62.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.865 0.364 . . . . 14.91 110.919 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.35 -12.6 59.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 15.64 110.617 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 66' ' ' ALA . 42.2 mt -76.67 -15.38 59.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.003 0.43 . . . . 15.72 110.205 175.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.22 -87.79 0.32 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.859 -0.686 . . . . 16.17 112.513 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -80.81 1.97 8.91 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.848 2.365 . . . . 17.44 112.904 -173.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.461 ' HA2' ' HA ' ' A' ' 60' ' ' LYS . . . 93.84 9.93 59.32 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.579 -0.819 . . . . 15.83 111.856 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.452 ' HB2' HD12 ' A' ' 62' ' ' LEU . . . 68.8 117.03 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.418 0.628 . . . . 14.15 111.34 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 p -73.45 -84.04 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.673 -0.694 . . . . 15.45 112.291 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -132.13 -59.29 0.94 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.926 -0.31 . . . . 12.22 110.197 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.9 -28.19 60.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.222 0.534 . . . . 16.53 110.236 -175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.47 -50.32 65.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.155 -0.929 . . . . 15.56 110.121 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.2 ptp -69.62 -29.84 67.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 10.3 110.519 -178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.715 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 44.2 ttm -69.28 -48.48 61.55 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.012 -0.54 . . . . 11.15 110.082 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -67.76 -46.89 70.77 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.162 -0.926 . . . . 12.02 111.18 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.61 83.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.735 -0.666 . . . . 9.32 112.523 -174.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 71.4 m -88.4 11.81 15.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.21 0.448 . . . . 7.31 112.21 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' A' ' 72' ' ' MET . 79.2 mt-30 -99.83 115.71 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.954 0.407 . . . . 10.66 110.517 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.52 -1.83 39.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 8.85 112.697 177.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.4 t -67.35 106.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.906 0.384 . . . . 8.24 110.564 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.4 20.12 78.95 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.834 -0.698 . . . . 10.49 111.825 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -84.13 -147.88 8.49 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.08 -0.581 . . . . 10.42 112.582 -176.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.55 19.3 1.36 Allowed 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 123.023 2.482 . . . . 12.1 112.99 -176.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.6 65.34 1.35 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.612 -0.804 . . . . 11.07 112.186 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -80.63 76.07 7.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.082 0.467 . . . . 10.71 109.918 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.634 ' O ' HG12 ' A' ' 87' ' ' VAL . 40.2 ttmt -114.91 -67.42 1.0 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.156 0.503 . . . . 12.21 111.26 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.53 ' O ' ' HG ' ' A' ' 88' ' ' LEU . . . -64.66 -30.62 71.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 8.99 111.508 -174.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -62.39 -31.57 72.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.301 -0.408 . . . . 10.56 111.977 -176.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 84' ' ' LYS . 11.9 p -80.6 -29.76 12.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.541 -0.464 . . . . 7.9 110.619 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 85' ' ' ALA . 4.0 pp -86.19 -38.04 18.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.235 -0.439 . . . . 8.66 110.341 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.71 71.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.866 -0.607 . . . . 7.41 110.292 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 39.6 tt0 -59.89 -43.05 94.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.582 -0.735 . . . . 8.34 110.664 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.89 -27.06 36.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.171 0.51 . . . . 7.39 110.251 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 52.9 ttm -61.34 -41.52 97.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.435 -0.802 . . . . 10.32 110.644 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 p -74.3 -25.38 59.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.331 -0.395 . . . . 9.14 111.082 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 98.7 mt-30 -74.86 -29.68 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.711 0.291 . . . . 9.08 111.687 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.0 -29.77 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.885 -0.326 . . . . 10.49 111.231 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.6 m -83.58 -47.6 11.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.108 0.48 . . . . 11.8 110.709 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -93.3 141.46 24.0 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.708 -0.678 . . . . 11.34 109.735 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.449 ' O ' ' HG3' ' A' ' 102' ' ' MET . 61.1 Cg_endo -73.99 36.24 0.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.871 2.381 . . . . 12.7 112.711 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.29 -27.24 68.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.176 0.512 . . . . 11.25 110.39 -178.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.4 p -79.25 -34.79 42.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.442 -0.799 . . . . 10.63 110.386 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.06 -31.94 49.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.574 0.702 . . . . 12.53 109.588 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 98' ' ' PRO . 66.1 mtt -60.28 -17.55 43.09 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.058 -0.974 . . . . 13.25 111.213 175.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 48.6 mm -75.33 -45.67 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.591 -0.277 . . . . 11.41 110.673 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -76.54 -29.43 56.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 11.93 110.369 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -76.06 -16.06 60.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 14.37 111.058 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.25 -26.49 43.62 Favored Glycine 0 C--O 1.226 -0.371 0 CA-C-N 115.58 -0.736 . . . . 12.03 113.777 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -69.6 -23.84 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.409 0.604 . . . . 12.33 111.233 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -80.19 -48.87 12.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.956 0.408 . . . . 14.51 110.905 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -80.04 -31.69 39.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.067 -0.515 . . . . 15.12 110.97 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 61.95 -80.93 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.83 0.852 . . . . 13.93 111.678 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -133.08 60.45 1.7 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.066 0.46 . . . . 14.01 109.995 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.461 ' HG2' ' H ' ' A' ' 114' ' ' THR . 43.1 ttm180 -58.92 132.04 52.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.651 -0.704 . . . . 14.43 110.583 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -63.8 -32.72 74.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.508 -0.769 . . . . 12.41 110.71 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.461 ' H ' ' HG2' ' A' ' 112' ' ' ARG . 1.4 m -59.89 -22.31 62.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.802 -0.636 . . . . 10.8 112.138 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.69 -28.2 40.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 120.902 0.382 . . . . 11.44 110.457 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 123' ' ' GLU . 4.0 mppt? -85.69 138.41 32.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.058 -0.519 . . . . 10.72 109.664 177.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 125' ' ' HIS . 0.1 OUTLIER -76.66 100.33 5.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.189 -0.459 . . . . 8.16 111.579 -175.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -85.88 65.97 9.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.381 -0.372 . . . . 7.76 111.134 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -168.72 -46.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.874 -0.603 . . . . 8.9 110.819 174.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 29.4 p -91.54 -16.15 27.63 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.041 0.448 . . . . 9.54 110.505 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 120.28 65.24 0.27 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.493 -0.861 . . . . 9.05 113.235 174.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 123' ' ' GLU . 37.6 mtmm 67.77 -156.63 0.21 Allowed 'General case' 0 C--O 1.236 0.345 0 C-N-CA 122.715 0.406 . . . . 12.7 111.088 172.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 0.6 OUTLIER 70.12 161.57 0.22 Allowed 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 123.894 0.746 . . . . 12.54 111.611 -175.179 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -78.61 47.56 3.04 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.657 -0.701 . . . . 11.83 112.988 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.559 ' HB3' ' SG ' ' A' ' 117' ' ' CYS . 16.2 t-160 -96.35 168.49 10.54 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.39 -0.967 . . . . 11.94 108.39 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.445 ' H ' ' CD2' ' A' ' 125' ' ' HIS . 17.5 pt -111.69 113.17 43.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.149 0.499 . . . . 12.22 110.591 -178.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.5 ' HA ' ' HB3' ' A' ' 130' ' ' CYS . . . -63.32 -19.68 64.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.626 -0.716 . . . . 9.79 111.322 -176.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -77.23 -18.63 57.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.57 -0.741 . . . . 13.15 111.377 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -121.53 29.76 7.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.365 -0.976 . . . . 14.48 108.365 174.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.5 ' HB3' ' HA ' ' A' ' 127' ' ' ALA . 34.3 t -124.02 116.36 22.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.121 -0.945 . . . . 11.41 110.536 -173.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -95.69 105.61 17.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.53 0.681 . . . . 17.31 110.397 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -154.68 113.43 2.39 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.392 -0.822 . . . . 11.89 109.525 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -51.83 85.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.983 3.122 . . . . 13.32 113.403 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 135' ' ' LYS . 8.4 tpt180 175.42 -56.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.126 -0.943 . . . . 12.3 109.296 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 134' ' ' ARG . 72.8 mmtt 59.0 -170.33 0.13 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.457 -0.792 . . . . 10.11 111.068 -174.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.403 ' HD3' ' H ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -79.15 -78.92 0.14 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.65 -0.42 . . . . 11.69 110.305 -176.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.49 -127.07 41.17 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.272 -0.966 . . . . 9.53 111.5 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 146' ' ' HIS . 35.3 t -121.36 104.58 9.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.724 -0.473 . . . . 12.01 109.724 175.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -78.77 -4.21 48.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.988 0.423 . . . . 11.32 111.182 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -77.5 -54.3 6.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.173 0.511 . . . . 16.11 110.098 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 4.5 m -95.18 -17.83 21.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.464 -0.789 . . . . 13.97 110.35 -177.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 85.26 25.92 38.34 Favored Glycine 0 C--N 1.329 0.178 0 C-N-CA 120.87 -0.681 . . . . 12.26 112.864 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.496 ' HG2' ' H ' ' A' ' 145' ' ' GLY . 56.0 tttp -137.39 144.1 42.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.311 -0.626 . . . . 15.88 109.311 -177.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -84.26 2.72 38.76 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.225 0.536 . . . . 14.2 110.786 -176.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.496 ' H ' ' HG2' ' A' ' 143' ' ' LYS . . . -61.75 -36.36 92.61 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.817 -0.706 . . . . 13.35 111.696 176.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -109.83 143.86 39.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.818 -0.808 . . . . 14.96 108.818 178.086 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 150' ' ' ASP . 56.6 tp60 -85.87 138.69 31.86 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.604 -0.888 . . . . 15.24 108.604 169.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 44.3 ttm -41.04 -46.06 2.81 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.796 0.665 . . . . 13.85 112.796 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.38 -20.86 36.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.059 0.457 . . . . 16.38 111.506 -175.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' A' ' 147' ' ' GLN . 10.3 m-20 -112.2 16.44 20.09 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.714 -0.675 . . . . 17.63 112.07 -172.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 51.4 t -77.35 88.0 3.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.383 0.611 . . . . 15.97 110.489 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 12.0 m -131.94 103.87 6.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.451 -0.795 . . . . 18.95 109.239 174.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -113.48 121.27 43.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.282 -0.417 . . . . 19.35 110.75 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -137.24 -45.15 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.877 -0.601 . . . . 23.48 110.524 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -86.72 64.89 8.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.188 0.518 . . . . 22.51 110.656 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -121.43 66.2 0.88 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.747 -0.66 . . . . 23.3 110.505 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.634 -0.712 . . . . 24.3 110.271 -179.096 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 ttp . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 119.838 -0.125 . . . . 20.97 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.533 ' HB2' ' NE2' ' A' ' 33' ' ' GLN . 99.5 m-85 68.44 127.92 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.644 0.59 . . . . 22.1 110.876 -176.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.486 ' HB2' ' HB2' ' A' ' 39' ' ' LYS . 19.9 m -138.93 148.4 57.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 122.204 -0.31 . . . . 17.23 111.117 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.565 ' CB ' ' HG3' ' A' ' 32' ' ' GLU . 42.5 Cg_endo -99.06 -166.92 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 124.084 3.189 . . . . 15.76 113.553 177.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.7 m -97.52 -26.21 14.89 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.109 -0.496 . . . . 15.79 112.181 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -63.17 -14.95 54.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.038 0.447 . . . . 13.32 112.052 -177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.567 ' O ' HD12 ' A' ' 10' ' ' ILE . 42.6 pt -70.65 -13.17 16.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.37 -0.377 . . . . 12.15 110.631 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp -78.68 -22.45 46.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.47 -0.332 . . . . 13.09 111.762 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -107.19 24.7 12.41 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.12 0.785 . . . . 12.54 113.12 -173.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.567 HD12 ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -91.66 146.6 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.767 -0.827 . . . . 8.74 108.767 171.353 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -140.78 161.8 36.94 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.359 -0.537 . . . . 13.19 111.251 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.443 ' HG3' ' HB3' ' A' ' 16' ' ' GLU . 64.6 tt0 -113.18 135.76 53.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.671 -0.695 . . . . 8.1 109.56 176.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.78 -150.52 24.8 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.07 -0.586 . . . . 9.01 112.448 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.55 -66.28 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.922 2.415 . . . . 10.91 112.9 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -108.2 13.71 25.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.073 -0.512 . . . . 13.55 110.832 -175.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' HB3' ' HG3' ' A' ' 12' ' ' GLN . 5.5 tp10 -51.78 118.98 12.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.606 -0.724 . . . . 9.91 110.846 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.61 123.87 14.75 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.294 1.996 . . . . 9.95 110.698 175.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -60.38 -28.87 68.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.277 -0.42 . . . . 6.75 110.523 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.72 -23.24 64.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.748 0.309 . . . . 13.72 110.725 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.31 -39.86 14.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.271 0.558 . . . . 11.24 109.549 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.466 ' CE1' HG12 ' A' ' 10' ' ' ILE . 45.3 t80 -55.55 -41.28 73.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.296 -0.866 . . . . 7.3 109.875 173.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.05 -35.26 28.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.115 -0.948 . . . . 6.77 110.282 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.83 -48.4 72.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.005 -0.543 . . . . 11.68 111.602 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -70.79 -34.98 72.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.295 0.569 . . . . 11.36 109.734 -176.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.539 ' CE1' ' HB ' ' A' ' 7' ' ' ILE . 71.0 t80 -65.28 -43.31 91.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.031 -0.986 . . . . 7.02 111.334 177.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -84.4 -27.99 27.23 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.997 -0.547 . . . . 11.44 110.857 -169.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -72.09 -33.46 67.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.081 -0.509 . . . . 13.47 110.827 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 4' ' ' PRO . 9.3 t -84.75 -27.16 27.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.73 -0.47 . . . . 9.35 109.73 175.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.506 HD12 ' CD ' ' A' ' 4' ' ' PRO . 55.3 tp -59.42 -37.84 79.08 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.556 -0.747 . . . . 9.09 110.789 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -82.82 -33.6 27.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 14.19 112.926 -173.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.17 -60.63 2.03 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 112.901 0.704 . . . . 11.93 112.901 -171.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.565 ' HG3' ' CB ' ' A' ' 4' ' ' PRO . 10.1 pt-20 -93.76 29.59 2.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.605 0.595 . . . . 10.89 112.605 -171.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.533 ' NE2' ' HB2' ' A' ' 2' ' ' TYR . 3.2 pt20 -71.49 70.62 0.64 Allowed 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.465 0.543 . . . . 11.52 112.465 -173.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.0 -65.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.742 0.645 . . . . 11.97 112.742 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.752 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 16.1 m -84.6 65.65 9.13 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.994 0.368 . . . . 12.02 111.994 -174.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.504 ' HG2' ' N ' ' A' ' 37' ' ' GLU . 4.8 pm0 -48.88 -46.67 42.97 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.598 0.962 . . . . 12.14 113.598 -172.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.504 ' N ' ' HG2' ' A' ' 36' ' ' GLN . 14.9 tt0 -49.7 -58.4 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.983 1.105 . . . . 14.44 113.983 -168.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.7 t -83.0 -23.82 8.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.224 0.535 . . . . 11.61 110.859 -174.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.752 ' HG2' ' O ' ' A' ' 35' ' ' SER . 70.6 mmtt -80.19 -35.63 36.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.951 -0.568 . . . . 9.78 110.63 -174.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.62 -36.07 64.11 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.932 0.396 . . . . 11.43 111.327 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.63 -29.79 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.118 0.485 . . . . 11.43 110.195 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.64 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -76.56 -34.86 58.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.663 -0.698 . . . . 9.19 110.849 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -48.11 -39.14 19.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.894 0.877 . . . . 7.35 112.291 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -83.62 -43.08 16.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.888 -0.596 . . . . 11.69 111.538 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 t -84.59 -22.26 30.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.068 -0.514 . . . . 11.34 111.43 -173.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.64 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -74.91 -38.33 61.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.537 -0.301 . . . . 8.22 110.807 -177.762 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.27 -43.9 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 5.99 111.464 177.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.603 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 18.8 m -82.39 -26.15 8.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.85 -0.34 . . . . 8.67 111.797 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.45 -58.0 9.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.338 -0.392 . . . . 12.22 111.56 -176.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -95.1 12.68 27.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.344 0.498 . . . . 8.3 112.344 -172.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . . . -77.47 171.23 15.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.961 0.41 . . . . 8.36 110.678 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.521 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 26.4 t-20 -65.84 134.33 95.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.857 -0.61 . . . . 9.4 109.418 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.478 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . 71.9 Cg_exo -37.91 -51.46 1.88 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.587 2.858 . . . . 11.66 113.783 -177.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.486 ' O ' ' HB ' ' A' ' 57' ' ' THR . 6.1 t70 -75.29 -39.05 60.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.081 0.467 . . . . 10.64 110.827 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.532 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 75.1 m -61.05 -45.31 95.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.434 -0.803 . . . . 8.04 111.627 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.603 ' HD2' ' O ' ' A' ' 48' ' ' VAL . 2.0 pttt -75.05 -23.87 58.16 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.144 -0.622 . . . . 10.04 110.465 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 21.4 m -62.57 -43.98 97.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.55 -0.75 . . . . 12.46 110.447 175.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.691 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 29.5 pt -83.97 -29.93 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 11.46 112.089 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 22.6 mt -44.31 -50.84 8.86 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.969 0.414 . . . . 11.84 111.983 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -78.16 -20.14 52.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.096 -0.502 . . . . 14.91 111.548 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.93 -40.72 27.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.455 -0.339 . . . . 15.64 110.872 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 2.2 pp -98.4 -6.63 30.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.543 -0.299 . . . . 15.72 111.35 -177.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.537 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -46.28 -49.94 13.92 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.466 -0.788 . . . . 16.17 114.441 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 63' ' ' GLY . 1.8 Cg_endo -43.82 -49.26 8.31 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.25 2.633 . . . . 17.44 113.616 177.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.01 -18.5 36.85 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.548 -0.834 . . . . 15.83 112.706 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.46 ' HB1' ' N ' ' A' ' 71' ' ' MET . . . -103.79 104.08 14.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.233 0.54 . . . . 14.15 110.592 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -68.1 -69.79 0.3 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.365 -0.834 . . . . 15.45 112.751 -172.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -137.2 -65.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.593 -0.443 . . . . 12.22 111.115 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.67 -23.72 45.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.373 0.606 . . . . 16.53 109.723 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -63.96 -48.62 75.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.105 -0.952 . . . . 15.56 110.15 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.46 ' N ' ' HB1' ' A' ' 66' ' ' ALA . 24.7 ptm -73.83 -25.56 60.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.952 -0.567 . . . . 10.3 110.612 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 47.1 ttm -70.68 -52.33 21.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.359 0.6 . . . . 11.15 110.178 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.532 HG23 HE21 ' A' ' 76' ' ' GLN . 88.8 m -62.4 -34.73 77.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.127 -0.942 . . . . 12.02 110.744 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.26 -20.28 66.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.956 -0.566 . . . . 9.32 111.909 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 60.6 m -117.16 10.59 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.603 0.594 . . . . 7.31 112.603 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.532 HE21 HG23 ' A' ' 73' ' ' THR . 29.8 pt20 -100.99 116.34 32.6 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.123 -0.631 . . . . 10.66 110.355 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.4 59.3 8.51 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.607 -0.724 . . . . 8.85 111.951 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t -85.0 18.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.494 0.664 . . . . 8.24 110.237 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.49 1.06 90.23 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 110.608 -0.997 . . . . 10.49 110.608 -173.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.464 ' N ' ' HD3' ' A' ' 81' ' ' PRO . . . 58.36 57.92 17.31 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.223 -0.488 . . . . 10.42 112.912 -178.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 80' ' ' GLY . 6.2 Cg_exo -78.59 -9.81 15.94 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.975 2.45 . . . . 12.1 111.9 -176.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.98 -10.8 71.28 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 110.938 -0.865 . . . . 11.07 110.938 173.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -99.07 74.19 1.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.089 -0.708 . . . . 10.71 109.089 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.711 ' O ' HG22 ' A' ' 87' ' ' VAL . 31.4 mmmt -114.96 -58.7 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.718 -0.674 . . . . 12.21 110.396 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.96 -30.8 64.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.812 -0.631 . . . . 8.99 110.962 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' A' ' 90' ' ' GLU . 14.3 mmt180 -67.68 -31.08 70.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.748 -0.66 . . . . 10.56 112.596 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 84' ' ' LYS . 5.6 m -74.5 -24.65 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.361 -0.536 . . . . 7.9 110.206 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.17 -45.65 10.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.662 -0.699 . . . . 8.66 110.381 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.28 -31.45 72.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.763 -0.653 . . . . 7.41 111.187 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.52 ' HB2' ' O ' ' A' ' 86' ' ' ARG . 0.4 OUTLIER -79.78 -25.87 40.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.339 -0.391 . . . . 8.34 110.501 179.457 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.53 -26.59 37.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 7.39 110.014 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 25.3 ttt -62.54 -39.46 93.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.633 -0.712 . . . . 10.32 110.514 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 m -74.27 -20.21 60.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.033 -0.53 . . . . 9.14 110.758 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 85.4 mm-40 -84.7 -49.3 8.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.984 -0.553 . . . . 9.08 110.938 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.9 p -64.1 -24.05 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 10.49 111.322 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.1 p -84.2 -8.83 58.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.968 0.413 . . . . 11.8 111.064 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -126.18 76.97 72.16 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 109.47 -0.567 . . . . 11.34 109.47 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.53 -21.36 37.74 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.038 2.492 . . . . 12.7 112.646 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.97 -29.74 69.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.212 0.529 . . . . 11.25 110.021 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.529 ' O ' ' HB2' ' A' ' 104' ' ' GLN . 5.4 m -85.7 -23.9 27.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.65 -0.704 . . . . 10.63 109.898 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 37.1 mm -65.51 -51.55 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.519 . . . . 12.53 110.909 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -60.14 -33.59 72.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.694 -0.684 . . . . 13.25 111.762 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.3 pt -88.73 -15.95 8.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.906 0.384 . . . . 11.41 111.353 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.529 ' HB2' ' O ' ' A' ' 100' ' ' THR . 8.9 tt0 -64.89 -15.15 61.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.84 -0.618 . . . . 11.93 110.825 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -56.04 -20.92 18.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.098 -0.501 . . . . 14.37 110.844 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -57.18 -18.88 29.63 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.303 -0.862 . . . . 12.03 113.076 176.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -59.37 -20.36 54.19 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.698 0.249 . . . . 12.33 111.327 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -59.76 -41.75 91.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.105 0.479 . . . . 14.51 109.968 174.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -69.58 -43.73 72.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 15.12 109.613 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 64.8 t30 57.38 52.79 8.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.688 0.756 . . . . 13.93 110.702 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -109.3 -2.64 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.246 -0.888 . . . . 14.01 108.948 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -65.93 -14.31 61.33 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.217 -0.901 . . . . 14.43 110.953 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.482 ' HA ' ' HG3' ' A' ' 123' ' ' GLU . 20.4 ptmt -83.95 35.84 0.54 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.53 0.196 . . . . 12.41 111.53 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 34.6 m -49.76 -68.43 0.18 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.197 0.443 . . . . 10.8 112.197 -173.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.498 ' H ' ' HA3' ' A' ' 124' ' ' GLY . 6.0 p -148.26 -50.74 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 119.412 -0.915 . . . . 11.44 112.899 168.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.45 ' C ' ' HA2' ' A' ' 124' ' ' GLY . 17.9 ptpt -157.53 135.82 11.1 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 122.004 -0.435 . . . . 10.72 111.407 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.736 ' SG ' ' HB2' ' A' ' 125' ' ' HIS . 33.6 t -79.32 139.24 37.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.09 -0.504 . . . . 8.16 110.329 175.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.513 ' HB3' ' HB2' ' A' ' 127' ' ' ALA . 10.5 t80 -87.53 61.7 6.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.515 0.674 . . . . 7.76 109.492 175.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.432 ' HB3' ' HB2' ' A' ' 135' ' ' LYS . 31.2 p30 172.76 -38.04 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.451 -1.249 . . . . 8.9 110.063 173.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 117' ' ' CYS . 82.6 m -84.03 -22.18 31.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.092 0.472 . . . . 9.54 110.164 176.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 85.78 -22.5 11.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.877 -0.678 . . . . 9.05 112.388 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -141.85 156.33 45.54 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.212 -0.662 . . . . 12.7 109.212 -176.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' A' ' 117' ' ' CYS . 23.6 tt0 63.59 119.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.515 1.135 . . . . 12.54 110.148 -176.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.498 ' HA3' ' H ' ' A' ' 115' ' ' VAL . . . -76.33 57.06 3.28 Favored Glycine 0 C--O 1.235 0.218 0 N-CA-C 114.937 0.735 . . . . 11.83 114.937 -164.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.736 ' HB2' ' SG ' ' A' ' 117' ' ' CYS . 4.8 m170 -65.09 160.81 20.27 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.158 -1.053 . . . . 11.94 108.158 170.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.3 pt -99.27 124.65 52.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 N-CA-C 109.107 -0.701 . . . . 12.22 109.107 173.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.513 ' HB2' ' HB3' ' A' ' 118' ' ' PHE . . . -60.56 -19.6 57.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.518 -0.765 . . . . 9.79 112.386 -172.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -82.8 -7.81 59.63 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.675 -0.41 . . . . 13.15 110.947 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -121.86 -22.97 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.174 0.512 . . . . 14.48 110.695 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 48.8 t -80.17 116.39 20.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.108 -0.497 . . . . 11.41 110.183 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -88.5 99.9 12.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.38 . . . . 17.31 110.036 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 134' ' ' ARG . . . -146.73 125.04 6.19 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.187 -0.46 . . . . 11.89 110.438 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.7 30.81 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.981 2.454 . . . . 13.32 112.58 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.412 ' H ' ' C ' ' A' ' 132' ' ' ALA . 1.9 tpm_? -103.76 -26.43 12.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.878 -0.601 . . . . 12.3 109.975 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.598 ' HG2' ' H ' ' A' ' 137' ' ' GLY . 52.7 tttm -71.59 -89.73 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.86 -0.609 . . . . 10.11 111.516 -173.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.567 ' HZ3' ' HB2' ' A' ' 136' ' ' LYS . 0.0 OUTLIER 55.25 24.65 6.58 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 122.849 0.46 . . . . 11.69 111.221 -176.198 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.598 ' H ' ' HG2' ' A' ' 135' ' ' LYS . . . 70.72 -64.91 0.85 Allowed Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 111.362 -0.695 . . . . 9.53 111.362 -171.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 141' ' ' CYS . 68.8 m -87.57 117.38 26.34 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.213 -0.493 . . . . 12.01 109.77 175.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -69.64 -35.84 75.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.791 0.329 . . . . 11.32 110.403 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.43 ' C ' ' H ' ' A' ' 142' ' ' GLY . 85.2 tttt -97.23 -52.21 3.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.596 0.712 . . . . 16.11 109.958 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 138' ' ' CYS . 16.3 t -78.07 30.15 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.122 -0.945 . . . . 13.97 110.079 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 140' ' ' LYS . . . -72.21 73.81 0.87 Allowed Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.717 -0.674 . . . . 12.26 112.387 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -81.88 -73.67 0.38 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.487 -0.56 . . . . 15.88 109.487 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -115.73 -33.46 5.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.105 0.479 . . . . 14.2 110.895 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 136' ' ' LYS . . . 137.67 99.48 0.51 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.882 -0.675 . . . . 13.35 111.607 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.533 ' O ' ' HA3' ' A' ' 137' ' ' GLY . 0.1 OUTLIER -133.04 -177.91 4.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.945 0.403 . . . . 14.96 110.161 -175.77 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -86.39 117.12 24.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.758 -0.655 . . . . 15.24 109.442 171.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.533 ' HA ' ' SG ' ' A' ' 138' ' ' CYS . 25.7 ttt -58.05 -32.19 67.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.888 -0.596 . . . . 13.85 111.936 -175.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -74.69 -31.94 62.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.799 0.296 . . . . 16.38 111.799 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -81.27 -22.97 38.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.967 0.413 . . . . 17.63 110.832 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 67.6 m -82.07 114.04 20.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.028 0.442 . . . . 15.97 111.235 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.414 ' HB ' ' HG3' ' A' ' 155' ' ' GLN . 25.4 m -87.6 122.36 31.2 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.502 -0.925 . . . . 18.95 108.502 170.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -56.38 136.86 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 19.35 111.567 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 61.39 63.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.136 -0.938 . . . . 23.48 111.111 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.414 ' HG3' ' HB ' ' A' ' 152' ' ' THR . 22.2 mm-40 -136.94 128.86 29.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.484 -0.78 . . . . 22.51 109.916 173.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -117.1 59.61 0.76 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.101 -0.499 . . . . 23.3 110.65 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 47.1 t30 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.608 -0.711 . . . . 24.3 110.336 -179.543 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mtp . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.064 0.459 . . . . 20.97 110.512 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -139.83 127.82 22.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.529 -0.76 . . . . 22.1 109.453 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -73.67 124.85 90.68 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 120.711 0.291 . . . . 17.23 110.244 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -78.41 27.1 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.815 2.343 . . . . 15.76 112.205 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -98.03 -14.35 20.57 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.396 -0.82 . . . . 15.79 109.907 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -62.16 -17.06 56.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.22 -0.9 . . . . 13.32 111.602 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.522 HG13 HD22 ' A' ' 8' ' ' LEU . 17.3 pt -86.58 -18.69 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.875 -0.33 . . . . 12.15 111.267 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.522 HD22 HG13 ' A' ' 7' ' ' ILE . 2.6 mm? -84.75 -39.57 18.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.208 0.527 . . . . 13.09 109.664 175.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.503 ' O ' HD12 ' A' ' 10' ' ' ILE . 6.8 m-20 -80.62 -32.35 36.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.572 -0.74 . . . . 12.54 111.216 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.601 HD13 ' CD1' ' A' ' 25' ' ' PHE . 1.1 pp 29.39 50.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.359 1.064 . . . . 8.74 113.664 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.5 ' HG3' ' HB3' ' A' ' 9' ' ' ASP . 67.5 mtt180 -90.77 173.35 8.06 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.837 -0.801 . . . . 13.19 108.837 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 21' ' ' TYR . 41.1 tt0 -91.4 104.83 17.3 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.173 -0.611 . . . . 8.1 110.729 178.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.04 154.24 49.93 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 110.782 -0.927 . . . . 9.01 110.782 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HB2' ' HG2' ' A' ' 86' ' ' ARG . 39.4 Cg_endo -66.51 1.27 2.71 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.531 2.154 . . . . 10.91 113.322 -175.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -119.57 3.14 11.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.625 -0.261 . . . . 13.55 111.458 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.3 tp10 -91.36 120.11 68.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 111.778 0.288 . . . . 9.91 111.778 -168.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 16' ' ' GLU . 12.7 Cg_exo -71.49 142.31 40.27 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.903 2.402 . . . . 9.95 111.496 172.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 61.4 t80 -46.21 -57.84 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.17 0.804 . . . . 6.75 113.17 -172.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -53.6 -37.24 62.81 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.301 0.482 . . . . 13.72 112.301 -174.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 33.8 t70 -81.05 -43.87 18.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.022 0.439 . . . . 11.24 109.867 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 12' ' ' GLN . 5.5 t80 -50.75 -44.85 58.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.385 -0.825 . . . . 7.3 110.465 174.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 80.6 t -75.25 -33.83 29.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.249 -0.887 . . . . 6.77 110.658 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.57 -39.91 89.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.123 0.487 . . . . 11.68 110.298 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 25.5 mtp180 -69.08 -49.3 58.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.798 0.808 . . . . 11.36 109.394 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.601 ' CD1' HD13 ' A' ' 10' ' ' ILE . 48.8 t80 -62.08 -28.36 69.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.197 -1.365 . . . . 7.02 111.435 -176.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -89.52 -32.5 17.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.806 0.336 . . . . 11.44 110.956 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 16.8 pttp -69.49 -27.82 65.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.559 -0.291 . . . . 13.47 110.888 -174.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -72.15 -30.97 65.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 9.35 110.407 174.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 76.7 mt -70.12 -35.5 74.15 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.155 -0.475 . . . . 9.09 111.008 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -81.52 -26.01 35.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.182 0.515 . . . . 14.19 110.428 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.79 -30.39 56.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.591 -0.731 . . . . 11.93 111.639 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -82.68 -163.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.698 0.285 . . . . 10.89 110.637 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -60.43 150.16 31.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.711 0.767 . . . . 11.52 110.66 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 36' ' ' GLN . . . -74.88 -20.38 59.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.946 -1.025 . . . . 11.97 112.656 -171.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.408 ' O ' ' HE2' ' A' ' 39' ' ' LYS . 4.6 m -41.71 95.99 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.986 0.804 . . . . 12.02 112.375 -177.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 22.7 mt-30 -80.91 -30.65 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 12.14 111.432 -174.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.41 -35.83 65.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 14.44 111.801 -175.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.2 t -80.35 -43.4 21.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.968 0.413 . . . . 11.61 110.339 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' A' ' 35' ' ' SER . 51.7 mtmt -70.98 -50.28 36.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 9.78 111.51 -171.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 7.2 m120 -60.5 -35.68 76.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.097 -0.501 . . . . 11.43 112.153 -174.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.71 -39.86 23.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.871 0.367 . . . . 11.43 111.049 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -64.8 -51.42 62.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 9.19 111.077 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.6 p -55.4 -27.71 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.938 0.718 . . . . 7.35 112.938 -174.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 40' ' ' ASN . 43.0 mt-10 -58.99 -54.82 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.203 0.525 . . . . 11.69 110.098 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.0 m -78.72 -33.21 46.94 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.597 -0.729 . . . . 11.34 110.704 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -59.8 -53.76 54.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 8.22 110.654 -178.219 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.05 -27.21 68.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.221 0.534 . . . . 5.99 110.539 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.3 t -81.42 -24.42 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.555 -0.748 . . . . 8.67 110.623 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -79.68 -48.49 13.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.782 -0.645 . . . . 12.22 111.101 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' ND2' ' HA ' ' A' ' 11' ' ' ARG . 32.2 p-10 -94.17 14.23 20.76 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.18 0.437 . . . . 8.3 112.18 -174.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.12 166.55 17.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.853 0.358 . . . . 8.36 110.343 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.51 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 35.6 t30 -65.47 127.61 93.11 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 108.916 -0.772 . . . . 9.4 108.916 174.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.51 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 54.1 Cg_exo -37.63 -54.91 1.15 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.408 2.739 . . . . 11.66 113.4 -177.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.51 -42.11 98.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.643 0.735 . . . . 10.64 111.281 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.483 ' O ' HG12 ' A' ' 58' ' ' ILE . 42.7 t -62.41 -41.6 98.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.456 -1.247 . . . . 8.04 111.958 -173.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -78.8 -22.57 46.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.417 0.627 . . . . 10.04 110.29 177.453 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.448 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 29.5 m -68.83 -40.45 79.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.252 -0.885 . . . . 12.46 111.294 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.1 pt -65.39 -34.44 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.949 -0.301 . . . . 11.46 111.018 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.698 HD21 ' SG ' ' A' ' 75' ' ' CYS . 77.1 mt -57.82 -46.51 84.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.258 0.551 . . . . 11.84 110.916 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 57' ' ' THR . 18.1 ptmt -79.87 -19.45 48.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.677 -0.692 . . . . 14.91 110.484 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.55 -30.94 61.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.581 . . . . 15.64 110.606 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 74.5 mt -58.94 -39.5 81.81 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.207 -0.451 . . . . 15.72 110.875 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.66 -79.5 0.29 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.399 -0.905 . . . . 16.17 112.873 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -74.56 4.04 4.85 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.036 2.491 . . . . 17.44 113.122 -175.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.2 3.49 82.23 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.822 -0.704 . . . . 15.83 111.741 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.518 ' HB2' HD12 ' A' ' 62' ' ' LEU . . . 63.73 95.43 0.05 OUTLIER 'General case' 0 N--CA 1.461 0.097 0 CA-C-O 121.378 0.609 . . . . 14.15 111.197 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.8 m -65.21 -68.93 0.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.393 -0.822 . . . . 15.45 112.575 -173.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -136.21 -65.42 0.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.376 -0.53 . . . . 12.22 111.258 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -79.15 -24.06 43.55 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.413 -0.515 . . . . 16.53 109.927 -174.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -64.5 -51.84 60.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.367 -0.833 . . . . 15.56 109.857 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.431 ' N ' ' HB1' ' A' ' 66' ' ' ALA . 26.0 ptt? -68.7 -28.17 66.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.894 -0.594 . . . . 10.3 110.787 -177.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.565 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 40.1 ttp -71.14 -50.35 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.755 -0.461 . . . . 11.15 109.755 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.1 m -68.17 -33.24 74.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.513 -0.767 . . . . 12.02 111.454 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.12 -42.33 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.235 -0.439 . . . . 9.32 111.738 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.698 ' SG ' HD21 ' A' ' 59' ' ' LEU . 72.2 m -99.63 0.81 42.81 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.717 0.636 . . . . 7.31 112.717 -172.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -81.8 115.45 21.03 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.869 -0.733 . . . . 10.66 109.894 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.52 58.94 11.83 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.454 -0.794 . . . . 8.85 112.854 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.66 97.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 N-CA-C 109.806 -0.442 . . . . 8.24 109.806 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.46 20.14 78.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.923 -0.656 . . . . 10.49 111.586 -173.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.72 154.23 27.88 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.228 -0.749 . . . . 10.42 111.228 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.2 -66.4 0.05 OUTLIER 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.472 2.115 . . . . 12.1 111.94 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.13 52.51 3.18 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.753 -0.737 . . . . 11.07 112.044 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -66.57 132.81 49.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.098 0.475 . . . . 10.71 111.3 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.482 ' O ' HG12 ' A' ' 87' ' ' VAL . 22.5 ttmm -66.29 -18.24 65.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.8 -0.636 . . . . 12.21 110.68 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.97 -17.79 4.19 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 115.295 -0.866 . . . . 8.99 111.445 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HG2' ' HB2' ' A' ' 14' ' ' PRO . 92.0 mtm180 -50.37 -45.35 55.19 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 111.67 0.248 . . . . 10.56 111.67 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 84' ' ' LYS . 13.9 p -71.08 -28.67 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.176 0.512 . . . . 7.9 110.535 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.473 ' O ' ' HG3' ' A' ' 92' ' ' MET . 92.5 mt -77.92 -48.05 17.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.646 -0.706 . . . . 8.66 110.032 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 92' ' ' MET . . . -62.13 -26.75 68.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.519 -0.764 . . . . 7.41 110.869 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.97 -38.07 89.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.747 -0.66 . . . . 8.34 109.362 175.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 94' ' ' GLN . . . -83.55 -26.6 29.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 7.39 110.447 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.724 ' HA ' HG22 ' A' ' 95' ' ' VAL . 92.2 mtp -68.47 -20.49 64.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.015 -0.539 . . . . 10.32 110.806 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.1 m -55.9 -35.77 66.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.412 -0.358 . . . . 9.14 111.197 -178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 91' ' ' ALA . 11.3 pt20 -85.86 -36.71 19.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.743 -0.208 . . . . 9.08 111.432 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.724 HG22 ' HA ' ' A' ' 92' ' ' MET . 3.2 m -74.18 -21.3 17.69 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 C-N-CA 120.753 -0.379 . . . . 10.49 110.826 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 t -80.67 11.89 3.51 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.83 0.348 . . . . 11.8 111.333 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -47.93 149.57 2.33 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.359 -0.382 . . . . 11.34 110.327 172.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.474 ' O ' HG12 ' A' ' 101' ' ' ILE . 11.6 Cg_endo -54.27 -14.44 6.58 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.93 3.087 . . . . 12.7 115.141 -168.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.97 -31.21 58.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.244 0.545 . . . . 11.25 110.224 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.2 m -87.92 -25.77 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.736 -0.665 . . . . 10.63 111.561 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 98' ' ' PRO . 35.7 pt -61.69 -23.76 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.071 0.462 . . . . 12.53 110.41 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 59.0 mtt -68.44 -28.23 66.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.534 -0.757 . . . . 13.25 109.999 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.6 mt -84.99 -34.95 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.965 -0.561 . . . . 11.41 109.987 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -63.28 -22.37 66.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.617 -0.72 . . . . 11.93 111.453 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.1 -42.19 89.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 14.37 110.296 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -81.82 -22.16 60.21 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.887 -0.673 . . . . 12.03 111.764 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.87 -23.62 61.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.97 0.414 . . . . 12.33 110.422 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -62.05 -24.33 67.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.028 -0.533 . . . . 14.51 110.822 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.62 -17.77 61.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.17 -0.468 . . . . 15.12 110.999 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.45 ' HB2' ' HB2' ' A' ' 113' ' ' LYS . 34.6 m-80 57.21 -157.63 0.28 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.845 -0.616 . . . . 13.93 110.833 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -87.22 -39.57 15.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.518 -0.549 . . . . 14.01 109.518 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -154.07 60.53 0.71 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.568 -0.742 . . . . 14.43 110.784 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' HB2' ' HB2' ' A' ' 110' ' ' ASN . 46.6 tptt -76.59 -82.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 12.41 110.217 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 26.2 m -86.77 -16.42 36.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.582 0.706 . . . . 10.8 110.018 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.57 23.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.446 -0.797 . . . . 11.44 110.986 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -90.1 126.23 35.71 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.407 0.622 . . . . 10.72 111.283 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.1 m -79.18 127.7 32.36 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.535 -0.757 . . . . 8.16 112.062 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -93.06 61.51 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.016 0.436 . . . . 7.76 109.876 173.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -177.23 -41.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.594 -0.73 . . . . 8.9 109.753 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 76.6 m -74.46 -5.1 40.64 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.206 0.527 . . . . 9.54 110.749 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 86.64 48.2 4.56 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.034 -0.603 . . . . 9.05 112.527 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 63.31 66.75 0.69 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.672 0.749 . . . . 12.7 110.662 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -118.14 164.24 15.44 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.794 -1.094 . . . . 12.54 109.39 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -85.33 49.64 4.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.255 -0.497 . . . . 11.83 113.786 -172.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.84 -171.17 2.79 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.188 -0.671 . . . . 11.94 109.188 173.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 39.2 pt -115.84 129.02 72.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.3 0.571 . . . . 12.22 110.407 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.97 -19.02 60.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.39 -0.823 . . . . 9.79 111.414 -176.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -73.86 -21.56 60.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.704 -0.68 . . . . 13.15 111.157 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -107.62 -23.2 12.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 14.48 110.644 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 78.9 m -82.81 122.03 27.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.514 -0.312 . . . . 11.41 111.123 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -86.92 100.08 12.32 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.989 -0.745 . . . . 17.31 108.989 170.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -156.48 135.9 8.16 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.696 -0.684 . . . . 11.89 110.108 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.95 109.81 0.37 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.069 2.513 . . . . 13.32 112.529 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.465 ' HG2' ' N ' ' A' ' 135' ' ' LYS . 54.2 ttp180 -81.05 159.73 24.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.809 -0.632 . . . . 12.3 110.331 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.465 ' N ' ' HG2' ' A' ' 134' ' ' ARG . 74.1 mmtt -75.19 -170.07 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.014 -0.539 . . . . 10.11 110.031 173.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -78.56 51.07 1.02 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.892 0.377 . . . . 11.69 110.942 -178.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 146' ' ' HIS . . . 75.14 -73.34 1.54 Allowed Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.864 -0.607 . . . . 9.53 111.876 -177.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' A' ' 148' ' ' MET . 71.6 m -82.39 147.0 29.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.834 0.349 . . . . 12.01 110.454 177.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -99.37 -48.03 4.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.134 -0.485 . . . . 11.32 110.499 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -78.67 -48.86 14.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.677 -0.86 . . . . 16.11 108.677 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 141' ' ' CYS . 26.6 t -85.45 28.35 0.75 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.084 -0.962 . . . . 13.97 109.327 177.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -70.97 93.02 0.48 Allowed Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.972 -0.632 . . . . 12.26 113.023 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -108.77 -84.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.741 0.271 . . . . 15.88 111.372 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -112.48 -35.16 5.64 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.197 0.443 . . . . 14.2 112.197 -176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 155.77 82.01 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.02 -1.086 . . . . 13.35 112.67 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.405 ' O ' ' HA3' ' A' ' 137' ' ' GLY . 0.0 OUTLIER -133.66 130.55 38.4 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.978 -0.749 . . . . 14.96 108.978 177.032 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.401 ' CD ' ' H ' ' A' ' 147' ' ' GLN . 21.7 mp0 -64.91 126.6 28.51 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.446 -0.575 . . . . 15.24 109.446 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.542 ' HA ' ' SG ' ' A' ' 138' ' ' CYS . 46.4 ttm -48.62 -46.55 39.87 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.205 0.817 . . . . 13.85 113.205 -168.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -74.76 -50.79 16.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.202 0.525 . . . . 16.38 110.721 -176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.05 -9.11 58.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.274 -0.875 . . . . 17.63 112.138 -174.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 49.1 t -57.26 109.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.196 0.522 . . . . 15.97 111.513 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 9.6 t -139.18 135.39 33.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.611 -0.722 . . . . 18.95 109.079 175.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -86.82 133.7 33.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.023 0.44 . . . . 19.35 111.943 -174.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -163.51 49.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.161 -0.927 . . . . 23.48 109.388 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -109.17 -62.47 1.48 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.319 -0.855 . . . . 22.51 109.328 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -82.82 -32.77 27.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.727 -0.669 . . . . 23.3 109.866 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.413 -0.803 . . . . 24.3 109.786 178.555 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtm . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 109.625 -0.509 . . . . 20.97 109.625 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -88.34 18.9 4.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 22.1 111.455 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.522 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 8.1 m -61.62 -52.67 67.75 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 116.295 -0.411 . . . . 17.23 111.584 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 3' ' ' SER . 97.4 Cg_endo -84.01 18.57 1.51 Allowed 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 121.638 1.559 . . . . 15.76 112.479 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.505 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 25.3 m -92.67 -21.2 20.15 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.428 -0.805 . . . . 15.79 110.128 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.406 ' OG ' ' HG2' ' A' ' 24' ' ' ARG . 23.2 t -63.63 -17.25 62.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.683 -0.69 . . . . 13.32 110.3 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.1 mt -71.76 -36.94 60.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 115.566 -0.743 . . . . 12.15 110.773 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 5' ' ' THR . 4.5 pp -84.54 -18.56 35.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.368 0.604 . . . . 13.09 110.249 175.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 11' ' ' ARG . 30.6 t70 -92.45 26.89 2.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.688 0.756 . . . . 12.54 110.488 -176.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.434 ' H ' HG12 ' A' ' 10' ' ' ILE . 6.0 pt -74.6 20.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.554 -0.748 . . . . 8.74 111.714 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' H ' ' C ' ' A' ' 9' ' ' ASP . 16.1 ptt180 -91.95 171.04 9.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.64 -0.709 . . . . 13.19 109.579 177.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.494 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 57.2 tt0 -104.54 120.34 41.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.829 0.347 . . . . 8.1 110.159 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.27 169.82 50.96 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.725 -0.75 . . . . 9.01 111.802 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -55.74 -33.53 88.08 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.298 2.665 . . . . 10.91 113.862 -175.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -118.85 9.43 12.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.006 0.431 . . . . 13.55 110.853 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' CD ' HH12 ' A' ' 24' ' ' ARG . 7.7 tt0 -75.32 126.35 87.87 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 115.761 -0.654 . . . . 9.91 110.854 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 16' ' ' GLU . 16.9 Cg_exo -66.86 139.2 51.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.477 2.118 . . . . 9.95 112.544 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.68 ' CD1' ' HA ' ' A' ' 72' ' ' MET . 77.4 t80 -48.79 -61.06 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.026 0.38 . . . . 6.75 112.026 -176.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -62.47 -7.78 5.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.292 0.479 . . . . 13.72 112.292 -175.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.502 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 14.6 t70 -87.89 -48.38 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.974 -0.29 . . . . 11.24 110.391 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 4.5 p90 -75.2 -31.8 61.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.529 -0.468 . . . . 7.3 110.45 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.8 t -68.92 -24.95 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.999 -0.546 . . . . 6.77 109.763 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 23.3 t70 -67.61 -36.36 80.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.883 -0.599 . . . . 11.68 110.181 -178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -75.87 -35.22 59.96 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.421 -0.585 . . . . 11.36 109.421 177.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 83.4 t80 -62.08 -35.69 79.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.357 -0.838 . . . . 7.02 110.001 176.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.54 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 62.6 t80 -74.29 -34.16 63.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.815 -0.629 . . . . 11.44 109.694 -177.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 56.0 mtpt -58.23 -53.43 58.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.442 -0.799 . . . . 13.47 111.159 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.598 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 11.5 t -71.61 -25.56 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.954 -0.298 . . . . 9.35 110.447 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 22.3 tp -65.72 -30.86 71.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 9.09 110.439 -177.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 40.3 mtm180 -73.09 -27.78 61.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 14.19 110.336 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.63 -52.06 5.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.908 -0.587 . . . . 11.93 111.553 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.4 pt-20 -86.15 29.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.076 0.465 . . . . 10.89 111.368 -175.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -73.13 -5.44 39.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 11.52 110.961 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.13 -52.84 62.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.786 -0.643 . . . . 11.97 110.444 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 m -82.03 75.18 8.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.325 -0.621 . . . . 12.02 109.325 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.58 -42.39 92.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 12.14 112.251 -171.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -55.92 -48.97 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.448 0.536 . . . . 14.44 112.448 -176.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -78.12 -30.64 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 111.994 0.368 . . . . 11.61 111.994 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -28.89 42.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.108 0.48 . . . . 9.78 110.249 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.28 -22.03 59.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.524 0.678 . . . . 11.43 109.244 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.526 ' O ' HG22 ' A' ' 45' ' ' THR . . . -82.64 -41.85 18.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.513 -0.767 . . . . 11.43 109.647 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.673 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -58.95 -38.31 78.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.382 -0.826 . . . . 9.19 111.742 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 t -65.84 -35.0 79.44 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.467 -0.493 . . . . 7.35 111.046 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 45' ' ' THR . 11.3 pt-20 -85.78 -57.91 2.86 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.688 -0.405 . . . . 11.69 111.959 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 41' ' ' ALA . 14.6 t -86.21 -30.66 22.23 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.347 0.499 . . . . 11.34 112.347 -172.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.673 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 29.5 tp -83.91 -37.68 22.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.432 -0.507 . . . . 8.22 111.723 -174.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.1 mt -58.98 -34.7 72.13 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.48 -0.488 . . . . 5.99 111.441 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.49 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 17.0 m -82.04 -26.26 9.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.803 0.335 . . . . 8.67 110.923 176.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.2 -51.5 17.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.456 -0.338 . . . . 12.22 110.199 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -81.21 2.76 26.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.572 -0.286 . . . . 8.3 111.445 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -68.98 166.58 17.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 8.36 110.691 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.705 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 38.7 t30 -62.5 127.33 89.88 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.044 -0.724 . . . . 9.4 109.044 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.528 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 50.5 Cg_exo -36.79 -53.53 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.944 3.096 . . . . 11.66 114.001 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.4 -36.48 81.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.938 0.399 . . . . 10.64 111.352 -175.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.705 ' SG ' ' HB3' ' A' ' 52' ' ' ASN . 61.2 m -63.61 -54.33 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.833 -0.621 . . . . 8.04 110.979 -177.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' ' 53' ' ' PRO . 2.9 pttt -68.37 -23.9 64.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.161 0.505 . . . . 10.04 110.476 -177.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.1 m -63.14 -41.52 99.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.684 -0.689 . . . . 12.46 111.11 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 55' ' ' CYS . 2.9 pp -83.8 -22.37 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.771 -0.372 . . . . 11.46 111.671 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.591 HD11 ' SG ' ' A' ' 75' ' ' CYS . 66.2 mt -58.1 -42.77 86.39 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.263 0.554 . . . . 11.84 110.731 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' HA ' ' HA2' ' A' ' 65' ' ' GLY . 17.7 ptmt -75.85 -21.75 56.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.893 -0.594 . . . . 14.91 110.543 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.22 -23.65 60.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 15.64 110.532 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 54.5 mt -67.02 -24.87 66.05 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.013 -0.54 . . . . 15.72 110.552 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.35 -82.38 0.31 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.466 -0.874 . . . . 16.17 113.13 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.7 3.89 7.37 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.935 2.423 . . . . 17.44 113.432 -174.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 60' ' ' LYS . . . 87.97 14.66 62.36 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.564 -0.827 . . . . 15.83 111.74 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 71' ' ' MET . . . 68.75 112.19 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 O-C-N 124.44 0.729 . . . . 14.15 111.343 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.1 m -76.75 -67.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.343 -0.844 . . . . 15.45 112.153 -174.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -145.94 -64.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.787 -0.365 . . . . 12.22 110.789 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.32 -25.25 62.33 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.338 0.589 . . . . 16.53 109.948 -176.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.38 -54.97 24.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.008 -0.996 . . . . 15.56 109.789 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.461 ' HB3' ' HB1' ' A' ' 66' ' ' ALA . 19.9 ptm -70.45 -28.19 64.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.681 -0.69 . . . . 10.3 110.721 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.68 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 46.9 ttp -68.76 -38.68 80.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.269 0.556 . . . . 11.15 109.788 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.3 m -84.26 -35.62 23.27 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.062 -0.972 . . . . 12.02 111.209 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.03 -52.7 11.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.978 -0.555 . . . . 9.32 112.233 -174.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.591 ' SG ' HD11 ' A' ' 59' ' ' LEU . 77.5 m -63.34 -24.22 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.402 0.519 . . . . 7.31 112.402 -173.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -81.11 115.31 20.48 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.098 -0.641 . . . . 10.66 110.244 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.65 -46.19 1.2 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.65 -0.786 . . . . 8.85 112.703 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.36 117.39 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.923 0.392 . . . . 8.24 110.851 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.77 -12.9 61.05 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.916 -0.659 . . . . 10.49 111.749 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.1 -113.36 1.16 Allowed Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 121.01 -0.614 . . . . 10.42 112.593 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -85.38 52.0 3.13 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.873 2.382 . . . . 12.1 113.874 -174.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.63 90.49 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 119.685 -1.245 . . . . 11.07 113.735 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -73.16 77.59 1.27 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.223 0.535 . . . . 10.71 109.601 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.505 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 19.6 ptpt -84.83 13.94 5.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.058 -0.519 . . . . 12.21 111.741 -174.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.22 -37.16 79.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.115 0.483 . . . . 8.99 110.118 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -64.34 -38.65 91.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.579 -0.737 . . . . 10.56 110.196 175.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -69.9 -38.1 74.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.793 -0.64 . . . . 7.9 110.229 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 84' ' ' LYS . 89.9 mt -64.88 -50.46 66.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.95 -0.568 . . . . 8.66 110.343 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.77 -31.42 70.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.63 . . . . 7.41 110.332 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 94' ' ' GLN . 13.0 tp10 -71.86 -40.85 68.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.806 -0.634 . . . . 8.34 110.37 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.19 -30.04 64.57 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.235 0.541 . . . . 7.39 110.004 -175.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.437 ' O ' HG22 ' A' ' 95' ' ' VAL . 92.4 mtp -64.78 -27.6 69.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.227 -0.897 . . . . 10.32 110.02 176.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.2 t -85.03 -22.72 28.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.73 -0.668 . . . . 9.14 110.594 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 80.6 mm-40 -84.01 -17.15 41.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.036 -0.529 . . . . 9.08 111.932 -175.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 92' ' ' MET . 35.1 m -55.89 -21.75 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 112.418 0.525 . . . . 10.49 112.418 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 m -67.43 -30.42 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.437 0.637 . . . . 11.8 110.188 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -103.78 158.75 31.22 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.351 -0.84 . . . . 11.34 109.909 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.66 20.2 0.38 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.532 2.155 . . . . 12.7 112.585 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.14 -34.17 63.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 11.25 110.564 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.4 p -71.4 -26.84 62.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.694 0.759 . . . . 10.63 110.123 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 28.1 mm -76.57 -40.42 33.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.001 -1.0 . . . . 12.53 109.661 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.2 ttt -63.69 -44.33 94.02 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.049 -0.978 . . . . 13.25 111.148 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.5 tt -71.85 -25.5 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 11.41 110.459 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -61.5 -41.68 97.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 11.93 110.451 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -63.68 -33.01 74.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.935 -0.575 . . . . 14.37 110.256 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.56 -39.63 29.46 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.932 -0.652 . . . . 12.03 112.101 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.95 -25.88 66.56 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.776 0.322 . . . . 12.33 110.769 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.65 -39.74 89.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 14.51 109.959 174.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -83.75 -40.35 18.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 15.12 110.2 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 49.8 t30 71.63 -59.69 0.54 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.105 0.962 . . . . 13.93 111.704 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -72.29 121.48 19.5 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.431 -0.581 . . . . 14.01 109.431 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 74.4 mtt85 -124.88 -97.48 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.212 0.529 . . . . 14.43 112.022 -174.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.49 ' HB3' ' HD2' ' A' ' 122' ' ' LYS . 33.3 mtmm -84.1 33.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.786 -0.643 . . . . 12.41 112.531 -170.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.9 m -65.98 -66.48 0.54 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.143 -0.223 . . . . 10.8 111.305 -175.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.569 ' O ' ' HA3' ' A' ' 124' ' ' GLY . 3.3 t -134.87 21.94 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 CA-C-O 121.416 0.627 . . . . 11.44 110.077 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.635 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . 82.0 mttt -100.19 149.13 23.87 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 112.451 0.537 . . . . 10.72 112.451 -171.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.896 ' SG ' ' HB2' ' A' ' 125' ' ' HIS 0.255 44.0 m -64.88 161.11 19.01 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 129.2 3.0 . . . . 8.16 115.659 -176.381 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.464 ' HB3' ' O ' ' A' ' 122' ' ' LYS . 20.1 p90 -73.01 68.51 0.93 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 122.304 1.049 . . . . 7.76 109.239 170.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 174.07 -43.43 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 113.849 -1.523 . . . . 8.9 108.016 -168.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' A' ' 116' ' ' LYS . 7.3 p -113.38 -11.59 13.12 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.364 -0.835 . . . . 9.54 110.583 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.506 ' HA3' ' HB2' ' A' ' 116' ' ' LYS . . . -176.1 -51.49 0.06 OUTLIER Glycine 0 CA--C 1.54 1.62 0 N-CA-C 115.333 0.893 . . . . 9.05 115.333 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.49 ' HD2' ' HB3' ' A' ' 113' ' ' LYS . 60.4 tttm -166.66 -66.16 0.03 OUTLIER 'General case' 0 C--N 1.345 0.406 0 CA-C-N 118.676 1.238 . . . . 12.7 112.349 -171.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 116' ' ' LYS . 12.7 pt-20 -176.95 6.09 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.346 1.239 . . . . 12.54 114.346 174.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 115' ' ' VAL . . . -59.95 -28.79 66.64 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 114.824 0.69 . . . . 11.83 114.824 -167.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.896 ' HB2' ' SG ' ' A' ' 117' ' ' CYS . 3.5 m170 -112.28 -147.16 0.41 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.595 -1.261 . . . . 11.94 107.595 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.59 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.1 OUTLIER -111.35 119.78 60.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.165 -0.68 . . . . 12.22 109.165 170.511 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.42 -19.87 57.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.466 -0.788 . . . . 9.79 112.06 -173.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -81.42 -13.67 57.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.384 -0.371 . . . . 13.15 111.603 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.418 ' HB3' HG12 ' A' ' 126' ' ' ILE . 10.6 t30 -102.52 -23.08 13.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.751 0.31 . . . . 14.48 111.149 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 1.4 m -82.87 124.93 30.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.182 0.515 . . . . 11.41 111.11 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -94.69 100.29 12.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.698 0.761 . . . . 17.31 109.804 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -133.2 164.73 41.91 Favored Pre-proline 0 C--N 1.316 -0.876 0 CA-C-N 115.289 -0.869 . . . . 11.89 109.326 -176.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.67 1.0 3.52 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.269 1.979 . . . . 13.32 112.138 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 25.5 mtp-105 66.73 118.58 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 114.706 -1.134 . . . . 12.3 112.247 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -70.41 179.06 2.62 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.372 -0.973 . . . . 10.11 108.372 169.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -63.9 -79.74 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.869 -0.789 . . . . 11.69 108.869 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 63.98 164.18 0.69 Allowed Glycine 0 N--CA 1.45 -0.398 0 CA-C-O 121.715 0.619 . . . . 9.53 114.26 172.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 145' ' ' GLY . 16.8 t -122.02 103.38 8.77 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.289 -1.004 . . . . 12.01 108.289 173.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -79.27 12.62 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.269 0.557 . . . . 11.32 111.162 -173.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -101.27 -44.41 5.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.798 -0.637 . . . . 16.11 110.687 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 30.1 p -115.31 -18.14 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 13.97 110.545 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 97.71 9.11 55.18 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.644 -0.789 . . . . 12.26 113.658 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -79.24 179.11 7.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.487 0.643 . . . . 15.88 111.153 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -93.06 -24.06 18.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.957 -0.565 . . . . 14.2 111.557 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' A' ' 138' ' ' CYS . . . -113.95 -128.86 4.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.529 -0.844 . . . . 13.35 112.489 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.493 ' HB2' ' SG ' ' A' ' 138' ' ' CYS . 17.1 m170 69.81 159.7 0.19 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.483 0.658 . . . . 14.96 111.537 178.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.85 -14.41 42.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.363 -0.835 . . . . 15.24 110.031 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 28.5 ttt 71.65 -49.34 0.68 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.192 -0.913 . . . . 13.85 111.681 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -62.82 -38.15 89.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.158 0.504 . . . . 16.38 110.452 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -82.23 -14.98 54.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.429 -0.805 . . . . 17.63 110.671 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 11.9 t -79.11 110.79 14.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.591 -0.731 . . . . 15.97 110.05 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 12.5 t -123.37 135.89 54.38 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.147 -0.479 . . . . 18.95 109.74 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.32 116.55 25.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.897 -0.408 . . . . 19.35 109.897 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -79.31 77.98 5.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.545 0.688 . . . . 23.48 111.157 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -118.02 124.44 48.14 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.826 -0.624 . . . . 22.51 110.104 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -93.06 90.97 7.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.169 -0.469 . . . . 23.3 110.843 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.477 -0.773 . . . . 24.3 110.533 -179.515 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.38 0.133 . . . . 20.97 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.4 t80 56.08 72.29 0.5 Allowed 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.542 0.526 . . . . 22.1 109.661 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 p -60.64 123.91 76.49 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.35 -0.841 . . . . 17.23 111.179 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.64 161.52 39.47 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.441 2.094 . . . . 15.76 111.646 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 m -74.6 -17.78 60.66 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.714 -0.676 . . . . 15.79 110.48 -176.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -60.31 -16.34 33.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.439 -0.8 . . . . 13.32 111.66 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.4 mt -69.58 -44.94 79.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.856 0.36 . . . . 12.15 110.615 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 pp -84.96 -29.52 25.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.144 0.497 . . . . 13.09 110.304 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.62 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 32.4 t70 -92.77 29.54 1.76 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.65 -0.705 . . . . 12.54 109.943 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.452 HD13 ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -53.05 85.34 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 113.813 1.042 . . . . 8.74 113.813 -177.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 2.4 ppt_? -135.68 131.61 35.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 13.19 110.108 173.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 13' ' ' GLY . 46.6 tt0 -75.44 135.09 40.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.947 -0.57 . . . . 8.1 112.04 -172.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.43 ' O ' ' HG2' ' A' ' 12' ' ' GLN . . . -100.39 -172.89 29.71 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.036 -0.825 . . . . 9.01 111.036 172.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.61 -13.55 20.14 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.793 2.329 . . . . 10.91 113.379 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -107.47 -34.48 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 13.55 111.546 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.642 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 2.9 tp10 -74.27 125.81 89.6 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.154 -0.476 . . . . 9.91 110.848 -177.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.36 131.8 31.34 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.491 2.127 . . . . 9.95 111.845 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.592 ' H ' ' HB3' ' A' ' 76' ' ' GLN . 70.4 t80 -45.07 -60.09 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.699 0.629 . . . . 6.75 112.699 -173.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -61.15 -22.76 65.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.668 0.271 . . . . 13.72 111.681 -174.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.03 -43.95 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.78 -0.452 . . . . 11.24 109.78 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.642 ' CD1' ' HG2' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -71.01 -38.73 72.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 7.3 109.888 177.103 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 18' ' ' PHE . 88.1 t -63.96 -25.38 38.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.572 -0.74 . . . . 6.77 110.582 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 36.7 t70 -54.01 -47.34 71.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.324 -0.398 . . . . 11.68 110.856 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -26.76 23.51 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.604 -0.438 . . . . 11.36 110.898 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.452 ' CE2' HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -59.38 -37.9 79.15 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.581 0.705 . . . . 7.02 109.864 173.129 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.54 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 67.0 t80 -77.12 -31.42 55.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.431 -0.804 . . . . 11.44 110.065 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 29.6 mmmt -60.16 -49.45 77.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.551 -0.749 . . . . 13.47 111.395 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -65.99 -25.09 66.93 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.872 0.368 . . . . 9.35 110.595 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 25' ' ' PHE . 3.5 mm? -72.93 -25.6 61.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 9.09 110.836 176.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.623 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 24.4 mmm180 -74.72 -21.2 59.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.084 0.469 . . . . 14.19 110.472 178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.88 -46.95 61.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.065 -0.516 . . . . 11.93 110.621 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.454 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 11.6 pt-20 -87.46 46.46 1.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.98 -0.555 . . . . 10.89 111.775 -176.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.6 mm100 -56.38 -19.78 16.34 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.267 0.469 . . . . 11.52 112.267 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.36 -40.37 58.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.124 0.416 . . . . 11.97 112.124 -172.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.655 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 23.8 m -82.6 54.86 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.698 0.258 . . . . 12.02 111.698 -176.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -56.09 -44.45 79.04 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.352 0.501 . . . . 12.14 112.352 -174.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.85 -29.49 70.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.037 0.446 . . . . 14.44 110.829 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.4 t -80.21 -41.79 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.895 -0.593 . . . . 11.61 110.208 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.655 ' HG3' ' O ' ' A' ' 35' ' ' SER . 43.5 mtpt -59.39 -41.14 88.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.705 -0.679 . . . . 9.78 111.795 -175.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -55.67 -47.97 75.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 11.43 110.998 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.04 -27.06 35.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.192 -0.458 . . . . 11.43 111.054 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . -72.3 -48.29 43.4 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.993 -0.549 . . . . 9.19 112.105 -176.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 p -57.66 -49.35 76.77 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.088 0.47 . . . . 7.35 111.841 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.01 -34.71 78.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.548 -0.751 . . . . 11.69 111.961 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -87.05 -40.4 14.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.856 0.36 . . . . 11.34 110.988 -177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 1.7 mm? -69.21 -47.37 64.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.597 -0.729 . . . . 8.22 112.418 -174.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 98.5 mt -61.69 -30.56 70.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.117 0.485 . . . . 5.99 110.148 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.44 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 51.0 t -82.03 -37.36 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.551 -0.75 . . . . 8.67 111.174 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -70.55 -46.44 63.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.494 -0.321 . . . . 12.22 110.625 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -87.47 16.2 5.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.043 -0.526 . . . . 8.3 111.573 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . -84.6 166.01 17.51 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.892 -0.41 . . . . 8.36 109.892 174.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.603 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 45.9 t30 -63.86 128.23 92.63 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.174 -0.676 . . . . 9.4 109.174 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.516 ' HD2' ' OD1' ' A' ' 52' ' ' ASN . 45.4 Cg_exo -37.35 -53.9 1.25 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.607 2.871 . . . . 11.66 113.677 -177.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.66 -42.16 92.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.475 0.655 . . . . 10.64 110.951 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.603 ' SG ' ' HB3' ' A' ' 52' ' ' ASN . 63.8 m -66.46 -44.78 81.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.815 -1.084 . . . . 8.04 111.839 -174.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -75.44 -23.29 56.91 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.254 -0.578 . . . . 10.04 110.398 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.567 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 49.0 m -65.59 -42.01 92.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.438 -0.801 . . . . 12.46 111.487 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.9 pt -75.01 -27.53 20.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 O-C-N 122.132 -0.355 . . . . 11.46 111.452 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 66.4 mt -52.52 -44.22 65.6 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 111.966 0.358 . . . . 11.84 111.966 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 57' ' ' THR . 9.9 ptmm? -73.89 -21.07 60.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 14.91 110.632 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.99 -12.62 60.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.066 -0.516 . . . . 15.64 110.826 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.8 mt -73.16 -27.42 61.65 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.403 -0.362 . . . . 15.72 110.538 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.04 -79.06 0.38 Allowed Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.488 -0.863 . . . . 16.17 112.932 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -79.77 8.19 4.15 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.965 2.444 . . . . 17.44 112.552 -176.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.27 23.11 66.41 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.639 -0.709 . . . . 15.83 111.485 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 69.41 111.06 0.05 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.611 0.719 . . . . 14.15 111.211 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.4 m -70.82 -78.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.076 -0.965 . . . . 15.45 111.898 -176.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 71' ' ' MET . 2.9 tm? -137.88 -64.43 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.734 -0.386 . . . . 12.22 110.869 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.0 -25.28 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.208 0.528 . . . . 16.53 109.663 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -64.48 -54.06 38.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.17 -0.923 . . . . 15.56 109.863 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 26.8 ptm -63.47 -30.39 71.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.916 -0.583 . . . . 10.3 110.563 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.501 ' HA ' ' CD2' ' A' ' 18' ' ' PHE . 58.5 ttp -73.83 -48.54 30.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.772 -0.649 . . . . 11.15 110.41 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.8 m -78.54 -38.25 40.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.169 -0.923 . . . . 12.02 112.09 -174.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 78' ' ' VAL . . . -66.39 -37.37 85.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.284 0.475 . . . . 9.32 112.284 -173.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.401 ' SG ' HD11 ' A' ' 59' ' ' LEU . 64.2 m -76.88 -32.69 57.65 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.948 0.351 . . . . 7.31 111.948 -175.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.592 ' HB3' ' H ' ' A' ' 18' ' ' PHE . 12.3 pt20 -86.64 116.38 24.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.272 0.558 . . . . 10.66 110.381 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.13 -12.96 58.85 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.141 -0.784 . . . . 8.85 111.141 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 74' ' ' ALA . 58.9 t 55.14 94.56 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 123.619 0.768 . . . . 8.24 111.412 -177.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.18 -14.68 28.28 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.31 -0.859 . . . . 10.49 111.436 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.01 128.98 5.94 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.912 -0.661 . . . . 10.42 112.409 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.41 3.53 4.1 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.815 2.343 . . . . 12.1 112.343 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.12 -2.38 88.85 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.045 -0.598 . . . . 11.07 111.978 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -75.83 138.09 40.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.693 -0.855 . . . . 10.71 108.693 173.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.505 ' O ' HG12 ' A' ' 87' ' ' VAL . 54.2 tptt -112.21 -70.02 0.83 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.705 -0.398 . . . . 12.21 110.863 178.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.98 79.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.865 0.364 . . . . 8.99 111.646 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -81.25 -21.62 39.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.965 0.357 . . . . 10.56 111.965 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 84' ' ' LYS . 5.5 p -85.12 -35.66 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.198 -0.601 . . . . 7.9 110.443 -178.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 89' ' ' ALA . 4.4 pp -71.67 -39.02 70.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.025 0.44 . . . . 8.66 109.983 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.413 ' N ' HD12 ' A' ' 88' ' ' LEU . . . -67.61 -32.47 73.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.822 -0.626 . . . . 7.41 110.057 175.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.35 -43.39 64.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.654 -0.703 . . . . 8.34 111.096 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.53 73.78 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.645 0.736 . . . . 7.39 109.696 -175.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 13.9 tpt -69.57 -43.98 71.77 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.616 -1.174 . . . . 10.32 110.195 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.8 t -72.11 -30.4 65.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.645 -0.707 . . . . 9.14 111.014 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -64.96 -25.68 67.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.134 0.492 . . . . 9.08 111.174 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.49 -28.63 10.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.87 -0.605 . . . . 10.49 110.991 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 p -95.28 -15.92 22.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.981 0.42 . . . . 11.8 111.801 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -75.71 150.98 84.55 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.322 -0.399 . . . . 11.34 110.312 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -71.62 44.1 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.109 2.54 . . . . 12.7 112.145 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.27 -15.75 63.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.847 -0.615 . . . . 11.25 110.347 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.4 p -71.24 -40.04 71.3 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.707 -0.679 . . . . 10.63 110.252 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.0 pt -86.07 -21.51 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.867 -0.606 . . . . 12.53 110.375 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.417 ' O ' ' HB3' ' A' ' 105' ' ' LYS . 54.6 ttp -66.1 -41.71 90.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.916 -0.584 . . . . 13.25 110.721 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.0 tt -68.86 -29.14 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.999 0.428 . . . . 11.41 110.341 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -68.67 -25.68 64.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.262 0.553 . . . . 11.93 110.039 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 102' ' ' MET . 29.4 tptp -71.95 -27.39 62.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.542 -0.754 . . . . 14.37 109.515 174.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.64 -30.51 43.99 Favored Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 111.134 -0.786 . . . . 12.03 111.134 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -68.64 -16.74 63.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.718 0.294 . . . . 12.33 110.436 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.35 -26.02 64.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 14.51 110.689 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -64.93 -25.26 67.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.108 0.48 . . . . 15.12 110.419 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -96.15 -18.58 20.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.904 -0.589 . . . . 13.93 110.246 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.405 ' HA ' HG22 ' A' ' 114' ' ' THR . 80.5 mt-30 -69.64 88.93 0.52 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.793 -0.64 . . . . 14.01 110.939 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.447 ' O ' HG12 ' A' ' 115' ' ' VAL . 29.8 mmt180 -112.91 -55.97 2.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.163 -0.471 . . . . 14.43 110.238 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -84.02 -31.06 25.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.215 0.531 . . . . 12.41 110.502 174.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.637 ' HA ' ' CD2' ' A' ' 125' ' ' HIS . 12.9 t -85.75 -13.3 48.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.75 -0.659 . . . . 10.8 111.812 -176.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.51 HG13 ' HG3' ' A' ' 116' ' ' LYS . 14.7 p -57.65 -43.73 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.893 0.377 . . . . 11.44 111.436 -176.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.571 ' HA ' ' H ' ' A' ' 122' ' ' LYS . 36.4 mtmm -97.89 109.06 21.88 Favored 'General case' 0 C--O 1.205 -1.243 0 N-CA-C 108.564 -0.902 . . . . 10.72 108.564 174.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.725 ' SG ' ' HB3' ' A' ' 125' ' ' HIS . 40.1 t -137.53 151.48 48.46 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 122.581 0.352 . . . . 8.16 111.665 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 119' ' ' ASN . 7.6 t80 -86.89 61.15 6.64 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.734 -1.21 . . . . 7.76 107.734 168.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 118' ' ' PHE . 41.3 t30 164.89 -64.45 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.353 -1.294 . . . . 8.9 110.889 -176.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 13.5 p -102.37 28.27 6.07 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.365 0.602 . . . . 9.54 110.287 -170.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 169.62 -116.94 0.68 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.682 -0.771 . . . . 9.05 113.058 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.692 ' N ' ' H ' ' A' ' 117' ' ' CYS . 5.5 tmtt? -102.19 -67.81 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.432 0.901 . . . . 12.7 113.432 -171.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -155.44 -62.05 0.11 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.403 1.26 . . . . 12.54 114.403 -175.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.479 ' H ' ' HB3' ' A' ' 116' ' ' LYS . . . -80.08 49.53 3.77 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 115.665 1.026 . . . . 11.83 115.665 -162.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.725 ' HB3' ' SG ' ' A' ' 117' ' ' CYS . 22.6 t-80 -130.04 -175.53 3.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.102 -1.073 . . . . 11.94 108.102 174.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.521 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -120.14 96.79 4.53 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-O 121.491 0.662 . . . . 12.22 109.798 -177.575 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.566 ' HA ' ' SG ' ' A' ' 130' ' ' CYS . . . -49.64 -20.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.984 -1.007 . . . . 9.79 112.724 176.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.428 ' HG2' ' HB ' ' A' ' 126' ' ' ILE . 19.9 ptpt -77.02 -17.9 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.803 0.297 . . . . 13.15 111.803 -176.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.44 HD22 HG13 ' A' ' 126' ' ' ILE . 93.3 m-20 -114.88 -5.03 12.57 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.314 0.487 . . . . 14.48 112.314 -175.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' A' ' 127' ' ' ALA . 2.5 p -104.99 144.84 31.26 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.284 -0.566 . . . . 11.41 110.918 176.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.441 ' N ' ' HD3' ' A' ' 131' ' ' ARG . 0.3 OUTLIER -100.18 99.5 10.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.809 -0.632 . . . . 17.31 109.488 -178.586 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -163.42 116.47 1.07 Allowed Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.963 -0.562 . . . . 11.89 110.499 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.08 40.3 0.92 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.811 2.34 . . . . 13.32 111.987 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -90.4 -25.68 20.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.074 -0.512 . . . . 12.3 110.532 -176.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -71.9 94.18 1.42 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.567 0.698 . . . . 10.11 110.063 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -119.59 13.82 12.59 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.719 -1.128 . . . . 11.69 109.092 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.521 ' HA3' ' O ' ' A' ' 146' ' ' HIS . . . 106.08 -82.94 0.34 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.556 -1.018 . . . . 9.53 110.556 -172.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' A' ' 146' ' ' HIS . 75.1 m -90.97 144.06 26.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.822 0.344 . . . . 12.01 110.188 174.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 6.6 m-90 -103.21 -1.4 28.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.237 -0.438 . . . . 11.32 110.704 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -112.65 -56.56 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.382 . . . . 16.11 110.993 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.88 -1.03 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.103 -0.499 . . . . 13.97 111.688 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.633 ' CA ' ' HB2' ' A' ' 138' ' ' CYS . . . -67.26 -62.22 4.58 Favored Glycine 0 CA--C 1.504 -0.637 0 C-N-CA 120.407 -0.901 . . . . 12.26 112.313 -173.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt 61.18 -73.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 123.493 0.717 . . . . 15.88 111.203 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -115.2 -34.62 4.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.302 -0.408 . . . . 14.2 110.105 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' A' ' 146' ' ' HIS . . . -130.02 -143.34 5.39 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.388 -0.91 . . . . 13.35 113.37 -173.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.635 ' HB3' ' SG ' ' A' ' 138' ' ' CYS . 34.4 m170 73.25 129.44 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.683 0.754 . . . . 14.96 111.045 -174.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 148' ' ' MET . 21.8 mp0 -85.81 -8.18 58.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.58 -0.736 . . . . 15.24 110.437 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.4 ' HB3' ' O ' ' A' ' 147' ' ' GLN . 22.6 ttt 70.96 -54.73 0.66 Allowed 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.989 0.806 . . . . 13.85 111.011 -177.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -64.72 -33.55 76.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.029 0.443 . . . . 16.38 111.272 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -93.62 -8.6 40.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.377 0.608 . . . . 17.63 110.089 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 44.2 t -86.09 110.83 19.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.773 -0.649 . . . . 15.97 110.927 -174.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 26.2 m -103.26 114.05 28.03 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.222 -0.658 . . . . 18.95 109.222 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.8 109.73 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.07 0.462 . . . . 19.35 110.693 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -95.88 103.85 15.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.924 -0.58 . . . . 23.48 110.078 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -74.73 132.59 41.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.889 -0.596 . . . . 22.51 110.586 -178.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -91.52 108.61 20.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.081 -0.509 . . . . 23.3 110.251 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.72 -0.657 . . . . 24.3 110.299 -178.084 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.009 -0.367 . . . . 20.97 110.009 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 64.77 -82.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.677 0.61 . . . . 22.1 111.77 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p 46.26 92.72 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.412 0 C-N-CA 123.837 0.855 . . . . 17.23 112.33 -177.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.29 37.62 0.56 Allowed 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.728 2.286 . . . . 15.76 112.357 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.5 m -64.16 -45.41 88.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.83 -0.623 . . . . 15.79 111.406 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 10' ' ' ILE . 20.0 m -59.26 -15.97 18.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.119 -0.491 . . . . 13.32 111.883 -176.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.8 mp -81.88 -50.68 16.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.525 -0.307 . . . . 12.15 110.636 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.74 -28.87 24.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.072 0.463 . . . . 13.09 111.498 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 11' ' ' ARG . 25.1 t70 -90.39 27.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.9 -0.591 . . . . 12.54 110.942 -174.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.458 HG23 ' O ' ' A' ' 6' ' ' SER . 1.7 pp -69.23 10.54 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 116.204 -0.453 . . . . 8.74 112.033 177.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.565 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 1.1 ppt_? -70.94 144.84 50.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.107 -0.497 . . . . 13.19 109.908 176.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' HG3' ' H ' ' A' ' 13' ' ' GLY . 12.0 tp60 -140.56 172.49 12.64 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.133 -0.627 . . . . 8.1 112.471 -170.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.505 ' HA2' ' HB2' ' A' ' 52' ' ' ASN . . . -113.3 -177.64 19.48 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 114.977 -1.01 . . . . 9.01 111.449 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.64 0.8 9.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 10.91 112.279 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -99.25 7.55 45.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.519 -0.764 . . . . 13.55 111.137 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -120.93 128.98 25.51 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.365 -0.38 . . . . 9.91 110.293 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 42.9 Cg_exo -57.62 138.01 84.05 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.909 2.406 . . . . 9.95 112.929 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.616 ' HA ' ' CE1' ' A' ' 21' ' ' TYR . 76.6 t80 -45.02 -61.18 1.72 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.651 0.594 . . . . 6.75 111.896 -175.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.95 -15.03 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 13.72 111.784 -172.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.82 -48.41 16.57 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.397 -0.223 . . . . 11.24 110.397 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.616 ' CE1' ' HA ' ' A' ' 18' ' ' PHE . 28.5 p90 -81.08 -17.16 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.504 0.668 . . . . 7.3 111.107 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 18' ' ' PHE . 99.2 t -78.49 -24.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 115.571 -0.741 . . . . 6.77 109.403 172.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.74 -39.84 84.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.282 0.563 . . . . 11.68 109.918 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.609 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -72.6 -37.92 67.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.296 -0.865 . . . . 11.36 109.512 178.653 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.57 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 36.3 t80 -62.46 -32.67 73.59 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.183 -0.917 . . . . 7.02 110.782 175.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -84.18 -19.02 34.77 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.853 -0.339 . . . . 11.44 110.757 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.609 ' HD2' ' HA ' ' A' ' 24' ' ' ARG . 11.4 ptmt -75.67 -25.06 56.44 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.087 0.47 . . . . 13.47 109.986 -176.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.575 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 7.7 t -85.1 -29.53 24.78 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.092 -0.504 . . . . 9.35 110.021 172.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 25' ' ' PHE . 80.8 mt -73.44 -36.2 65.87 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.295 -0.411 . . . . 9.09 110.981 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -69.57 -23.76 63.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.281 0.562 . . . . 14.19 110.055 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.03 -56.23 5.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.405 -0.816 . . . . 11.93 109.939 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 28' ' ' THR . 12.6 pt-20 -87.93 39.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.166 0.507 . . . . 10.89 110.556 176.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -68.14 -8.98 43.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 11.52 111.834 -175.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.37 -56.66 18.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 11.97 110.788 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -83.89 97.69 9.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.035 0.445 . . . . 12.02 110.558 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -72.43 -26.13 61.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.986 0.422 . . . . 12.14 110.574 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.03 -40.29 87.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.674 . . . . 14.44 111.038 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.6 t -68.85 -39.85 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.18 -0.464 . . . . 11.61 110.502 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -61.34 -44.26 97.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.117 0.484 . . . . 9.78 110.697 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -58.01 -49.08 78.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.5 -0.773 . . . . 11.43 110.926 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.27 85.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.077 -0.51 . . . . 11.43 110.988 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 46' ' ' LEU . . . -65.17 -50.65 65.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.964 -0.562 . . . . 9.19 111.439 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 p -57.6 -33.17 67.93 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.542 0.571 . . . . 7.35 112.542 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -85.12 -59.64 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.452 0.538 . . . . 11.69 112.452 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.7 m -83.91 -36.75 23.1 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.391 0.515 . . . . 11.34 112.391 -172.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 2.7 tm? -88.15 -39.69 14.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.309 -0.405 . . . . 8.22 111.096 -171.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' A' ' 25' ' ' PHE . 63.8 tp -62.69 -37.33 86.01 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.905 0.383 . . . . 5.99 111.14 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.7 -26.6 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.074 0.464 . . . . 8.67 110.305 176.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -66.87 -48.83 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.978 -0.555 . . . . 12.22 110.773 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.478 ' OD1' ' HA ' ' A' ' 47' ' ' LEU . 3.2 p-10 -78.59 1.06 23.89 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.239 -0.437 . . . . 8.3 111.336 -177.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.45 153.31 21.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.624 -0.51 . . . . 8.36 109.624 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.505 ' HB2' ' HA2' ' A' ' 13' ' ' GLY . 8.7 t30 -66.87 137.12 94.66 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.125 -0.489 . . . . 9.4 109.884 176.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -37.09 -49.61 1.58 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 124.081 3.187 . . . . 11.66 114.136 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -63.42 -29.45 70.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.046 0.451 . . . . 10.64 111.772 -174.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 24.8 m -83.48 -42.89 16.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.805 -0.634 . . . . 8.04 111.181 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -77.19 -34.78 56.15 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.292 -0.413 . . . . 10.04 111.714 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.3 t -56.59 -32.34 65.14 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.374 -0.376 . . . . 12.46 111.395 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.5 pt -85.6 -38.13 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.718 -0.393 . . . . 11.46 110.985 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.9 mt -50.68 -46.36 58.66 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.027 0.38 . . . . 11.84 112.027 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -71.03 -25.22 62.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.294 -0.412 . . . . 14.91 111.475 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.41 -33.09 23.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.132 0.492 . . . . 15.64 110.397 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 66' ' ' ALA . 84.1 mt -73.12 -43.06 62.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.639 -0.71 . . . . 15.72 111.473 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.406 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -27.29 -60.97 0.1 OUTLIER Glycine 0 N--CA 1.467 0.75 0 O-C-N 124.365 1.041 . . . . 16.17 115.492 -174.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 63' ' ' GLY . 3.9 Cg_endo -46.17 -56.44 2.89 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.298 2.666 . . . . 17.44 114.179 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.63 -12.61 37.4 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.158 -1.02 . . . . 15.83 113.105 -174.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 62' ' ' LEU . . . -97.25 133.47 41.84 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.269 0.556 . . . . 14.15 111.53 -176.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.2 p -87.38 -179.63 6.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.372 -0.831 . . . . 15.45 109.526 172.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.6 -45.95 88.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.643 0.258 . . . . 12.22 110.381 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 9.3 pt-20 -60.49 -42.24 95.91 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.392 0.516 . . . . 16.53 112.392 -174.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.447 ' HG3' ' HB1' ' A' ' 66' ' ' ALA . 11.4 pt-20 -84.95 -20.66 30.28 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.311 -0.556 . . . . 15.56 111.765 -172.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.8 ptp -84.95 -30.56 24.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.827 -0.434 . . . . 10.3 109.827 173.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.411 ' HG3' ' HB3' ' A' ' 18' ' ' PHE . 54.3 ttp -64.97 -51.25 62.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.74 -0.663 . . . . 11.15 109.975 175.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.3 m -66.28 -22.88 66.31 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.144 -0.935 . . . . 12.02 110.913 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.48 -28.57 52.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.021 -0.536 . . . . 9.32 111.98 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 65.8 m -97.24 -13.17 22.18 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.844 0.312 . . . . 7.31 111.844 -175.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 4.0 pp0? -80.09 116.64 20.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.279 0.562 . . . . 10.66 109.934 176.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.51 58.59 9.05 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.858 -0.687 . . . . 8.85 111.784 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.3 t -61.21 110.31 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.547 -0.538 . . . . 8.24 109.547 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 83' ' ' HIS . . . 111.22 3.65 27.63 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.596 -0.811 . . . . 10.49 111.864 -175.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 86' ' ' ARG . . . -79.53 -88.25 0.5 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.58 -0.819 . . . . 10.42 112.292 175.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.97 134.34 61.67 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.792 2.328 . . . . 12.1 112.539 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.52 -6.24 82.77 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.078 -0.582 . . . . 11.07 112.179 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 79' ' ' GLY . 45.6 m-70 -125.59 158.3 34.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.804 -0.443 . . . . 10.71 109.804 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -86.8 -7.3 58.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.908 0.385 . . . . 12.21 110.438 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.68 ' O ' ' HG ' ' A' ' 88' ' ' LEU . . . -64.67 -20.36 66.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.203 0.525 . . . . 8.99 110.232 175.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 80' ' ' GLY . 73.8 ttt180 -62.55 -19.25 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.794 -0.639 . . . . 10.56 110.958 178.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.2 t -77.83 -39.54 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.175 0.512 . . . . 7.9 109.929 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 85' ' ' ALA . 4.0 pp -77.49 -36.88 52.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.729 -0.668 . . . . 8.66 109.473 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.61 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.419 -0.809 . . . . 7.41 110.387 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -63.62 -36.89 85.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 8.34 110.731 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.58 -33.63 31.49 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.296 0.569 . . . . 7.39 109.906 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.504 ' HA ' HG22 ' A' ' 95' ' ' VAL . 59.6 mtt -68.96 -20.56 64.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.348 -0.842 . . . . 10.32 110.41 176.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.3 t -58.79 -32.21 69.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.931 0.395 . . . . 9.14 110.485 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -78.13 -34.61 49.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 9.08 111.072 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 92' ' ' MET . 17.6 m -80.96 -22.7 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.524 -0.47 . . . . 10.49 111.265 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.0 p -93.64 9.91 34.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.114 0.483 . . . . 11.8 110.694 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -60.73 137.83 93.2 Favored Pre-proline 0 N--CA 1.453 -0.289 0 N-CA-C 108.879 -0.786 . . . . 11.34 108.879 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.86 -16.57 38.88 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.8 2.333 . . . . 12.7 113.494 -174.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.03 -25.53 27.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.234 0.54 . . . . 11.25 110.205 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.6 m -87.47 -49.73 7.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.718 -0.674 . . . . 10.63 110.675 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 28.5 pt -65.83 -26.78 39.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.021 -0.536 . . . . 12.53 111.077 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.2 ttt -64.35 -35.01 79.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 13.25 110.647 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 47.7 mm -71.66 -53.88 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.898 -0.592 . . . . 11.41 110.754 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.33 -26.01 67.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 11.93 110.752 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 109' ' ' ARG . 23.5 tptm -63.29 -31.03 72.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.239 -0.437 . . . . 14.37 110.419 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.85 -50.51 66.92 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.046 -0.597 . . . . 12.03 112.376 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 3.2 p-10 -81.63 -17.37 48.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.704 0.287 . . . . 12.33 110.511 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -69.85 -22.95 63.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.041 0.448 . . . . 14.51 109.949 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 83.6 mtm180 -61.84 -54.8 37.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.776 -0.647 . . . . 15.12 109.956 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -154.03 129.87 10.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.923 -0.581 . . . . 13.93 109.525 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 107' ' ' ASN . 8.3 tp-100 -160.41 121.43 3.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.141 -0.481 . . . . 14.01 109.85 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 62.17 -174.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.132 0.492 . . . . 14.43 110.504 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 66.1 mttm -83.6 34.06 0.48 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.444 -0.344 . . . . 12.41 111.588 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.4 t -71.86 -13.3 61.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.185 0.516 . . . . 10.8 110.695 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.78 -8.17 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 115.539 -0.755 . . . . 11.44 111.682 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 18.9 ptpt -91.84 136.48 33.12 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.929 -0.767 . . . . 10.72 108.929 173.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.49 110.2 5.94 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.775 -0.37 . . . . 8.16 111.53 -174.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.476 ' HB3' ' HB3' ' A' ' 136' ' ' LYS . 79.9 m-85 -77.12 65.64 2.78 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.756 -0.656 . . . . 7.76 110.104 175.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.401 ' OD1' ' HB3' ' A' ' 132' ' ' ALA . 65.2 t30 -176.46 -60.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.27 -0.423 . . . . 8.9 111.286 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 26.3 p -99.28 22.85 9.98 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 120.946 0.403 . . . . 9.54 111.349 -173.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 133.64 -96.28 0.29 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.523 -0.846 . . . . 9.05 112.622 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.7 pttm 179.16 32.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.315 0.579 . . . . 12.7 109.803 -175.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.37 -178.25 4.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.705 -0.679 . . . . 12.54 110.282 -173.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -76.47 54.36 3.24 Favored Glycine 0 N--CA 1.452 -0.281 0 O-C-N 123.662 0.601 . . . . 11.83 112.063 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -127.17 162.94 24.95 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.228 -1.027 . . . . 11.94 108.228 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.701 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -112.24 131.11 64.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.149 0.5 . . . . 12.22 110.712 -177.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.5 -18.87 65.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.69 -0.686 . . . . 9.79 110.691 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -63.03 -34.24 77.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.772 -0.649 . . . . 13.15 110.781 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -116.81 30.46 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.852 -0.613 . . . . 14.48 110.224 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 4.1 t -115.91 151.98 34.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.874 -0.603 . . . . 11.41 109.378 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.69 120.71 17.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.044 0.449 . . . . 17.31 110.907 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.401 ' HB3' ' OD1' ' A' ' 119' ' ' ASN . . . -162.81 139.42 5.81 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.502 -0.772 . . . . 11.89 109.12 177.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -77.91 21.49 0.65 Allowed 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.622 2.215 . . . . 13.32 113.45 -173.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -120.83 -25.87 5.34 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.142 0.423 . . . . 12.3 112.142 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt 60.26 -166.15 0.2 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.08 0.467 . . . . 10.11 111.173 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.593 ' HG2' ' H ' ' A' ' 137' ' ' GLY . 0.0 OUTLIER -90.03 -86.44 0.2 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.142 -0.481 . . . . 11.69 110.685 -179.222 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.593 ' H ' ' HG2' ' A' ' 136' ' ' LYS . . . 62.86 -103.71 0.68 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.948 -0.644 . . . . 9.53 111.941 -174.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.446 ' HB3' ' HB2' ' A' ' 141' ' ' CYS . 9.1 m -147.67 150.64 34.74 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 109.066 -0.716 . . . . 12.01 109.066 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.843 ' H ' ' HB2' ' A' ' 146' ' ' HIS . 5.1 m0 -127.0 -55.77 1.36 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.296 0.569 . . . . 11.32 110.338 -169.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.806 ' HG3' ' SD ' ' A' ' 148' ' ' MET . 27.7 tptp -75.15 -26.75 59.37 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.133 -1.432 . . . . 16.11 107.133 172.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 146' ' ' HIS . 0.0 OUTLIER -93.89 18.18 10.89 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 113.551 -1.658 . . . . 13.97 109.186 171.014 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -171.03 -92.55 0.08 OUTLIER Glycine 0 CA--C 1.523 0.549 0 CA-C-N 115.798 -0.637 . . . . 12.26 112.957 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.659 ' H ' ' HA ' ' A' ' 139' ' ' TRP . 46.8 tptt -67.19 -100.34 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 112.671 0.619 . . . . 15.88 112.671 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -118.64 -39.03 3.03 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.104 1.52 . . . . 14.2 115.104 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.67 ' H ' ' HB3' ' A' ' 139' ' ' TRP . . . -158.78 109.71 0.41 Allowed Glycine 0 CA--C 1.527 0.803 0 C-N-CA 119.624 -1.274 . . . . 13.35 114.725 -176.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.843 ' HB2' ' H ' ' A' ' 139' ' ' TRP . 3.6 t-80 -119.23 -168.16 1.52 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 107.459 -1.312 . . . . 14.96 107.459 177.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 149' ' ' LYS . 23.8 mm-40 -67.81 -47.73 68.26 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.745 -0.835 . . . . 15.24 108.745 172.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.806 ' SD ' ' HG3' ' A' ' 140' ' ' LYS . 17.3 ttt 52.46 -58.46 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.721 1.608 . . . . 13.85 114.76 178.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 147' ' ' GLN . 21.0 pttm -64.15 -41.64 97.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.565 0.698 . . . . 16.38 110.045 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -110.66 20.49 17.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.052 -0.976 . . . . 17.63 109.628 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . 0.553 ' HB2' ' N ' ' A' ' 148' ' ' MET . 45.6 t -73.66 82.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.615 -0.72 . . . . 15.97 109.743 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 12.2 p -98.05 132.52 43.53 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.509 -0.769 . . . . 18.95 109.912 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -52.18 123.35 10.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.839 -0.618 . . . . 19.35 109.762 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -71.65 76.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.009 -0.542 . . . . 23.48 111.693 -173.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -73.81 110.07 7.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.497 -0.774 . . . . 22.51 109.592 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -73.0 102.36 3.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.202 -0.454 . . . . 23.3 111.263 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.614 -0.708 . . . . 24.3 109.913 176.642 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.794 0.331 . . . . 20.97 111.345 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -127.9 45.48 2.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.379 0.609 . . . . 22.1 110.452 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.471 ' HB3' HD21 ' A' ' 8' ' ' LEU . 70.4 m -127.69 83.1 66.98 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.281 -0.872 . . . . 17.23 110.11 178.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.473 ' HG2' HD13 ' A' ' 7' ' ' ILE . 73.7 Cg_endo -73.96 153.71 47.46 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.476 2.117 . . . . 15.76 112.798 -177.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.7 m -55.75 -58.29 8.43 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 113.543 0.942 . . . . 15.79 113.543 -167.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 m -59.03 -20.58 54.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.169 0.433 . . . . 13.32 112.169 -173.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.473 HD13 ' HG2' ' A' ' 4' ' ' PRO . 1.7 mp -82.09 -39.2 16.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.328 -0.396 . . . . 12.15 110.386 -176.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 3' ' ' SER . 4.0 mm? -79.14 -19.38 51.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.404 . . . . 13.09 110.884 177.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.82 -4.6 59.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.509 -0.314 . . . . 12.54 111.079 175.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 32.15 58.33 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 124.335 1.054 . . . . 8.74 113.167 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -135.26 163.72 29.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.288 0.566 . . . . 13.19 111.401 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.507 ' HB3' ' HA ' ' A' ' 51' ' ' ALA . 8.2 tt0 -97.62 136.36 38.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.938 -1.028 . . . . 8.1 110.707 -175.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.41 -170.98 25.83 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.254 -0.738 . . . . 9.01 111.254 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.85 -20.55 39.19 Favored 'Trans proline' 0 CA--C 1.527 0.159 0 C-N-CA 122.522 2.148 . . . . 10.91 113.004 -176.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -119.29 8.77 11.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.524 -0.307 . . . . 13.55 111.31 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.8 tp10 -98.0 124.07 48.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.337 -0.392 . . . . 9.91 110.625 -176.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 16' ' ' GLU . 11.5 Cg_exo -70.93 148.69 58.03 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.469 2.113 . . . . 9.95 112.506 176.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.535 ' HB2' ' HB2' ' A' ' 75' ' ' CYS . 50.7 t80 -51.45 -60.73 2.81 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.777 0.322 . . . . 6.75 111.427 -178.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -66.11 -2.19 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 13.72 112.288 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.572 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 12.5 t70 -89.32 -54.84 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.582 -0.525 . . . . 11.24 109.582 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -74.26 -28.92 61.44 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.625 -0.43 . . . . 7.3 110.263 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.502 HG22 HD11 ' A' ' 47' ' ' LEU . 66.2 t -65.35 -27.63 42.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.312 0.577 . . . . 6.77 109.557 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.572 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 2.4 t70 -62.48 -45.11 94.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.511 -0.768 . . . . 11.68 109.565 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' HD3' ' O ' ' A' ' 20' ' ' ASP . 5.5 mpt_? -67.22 -49.13 65.66 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.197 -0.91 . . . . 11.36 108.942 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 59.2 t80 -53.52 -34.38 57.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.713 -1.13 . . . . 7.02 111.77 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -87.67 -43.06 12.21 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 120.942 0.401 . . . . 11.44 110.363 -171.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -82.55 -20.64 36.2 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.467 -0.493 . . . . 13.47 111.522 -173.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.9 p -81.57 -29.42 33.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 9.35 109.827 172.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -61.53 -36.12 79.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.398 -0.819 . . . . 9.09 109.328 177.45 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -78.28 -20.78 50.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.364 -0.834 . . . . 14.19 110.41 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.06 -36.22 59.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 11.93 110.732 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.42 -154.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 10.89 109.844 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -59.84 104.87 0.33 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.473 0.654 . . . . 11.52 111.18 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.36 -19.46 60.43 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.691 -1.141 . . . . 11.97 112.094 -176.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -49.52 108.83 0.22 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.225 0.535 . . . . 12.02 111.161 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.52 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . 78.5 mt-30 -70.81 -25.04 62.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.565 -0.743 . . . . 12.14 112.437 -171.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -49.08 -45.41 43.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.354 0.501 . . . . 14.44 112.354 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.8 t -87.16 -36.25 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.4 0.619 . . . . 11.61 110.37 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.539 ' HD2' HD21 ' A' ' 29' ' ' LEU . 45.5 mmtm -71.73 -38.49 70.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.369 -0.832 . . . . 9.78 112.705 -170.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.52 ' ND2' ' HB3' ' A' ' 36' ' ' GLN . 94.2 m-20 -61.51 -48.63 80.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.561 0.22 . . . . 11.43 110.657 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.85 -31.89 71.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 11.43 111.061 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.34 -61.0 2.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.266 -0.425 . . . . 9.19 111.069 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.8 p -50.2 -38.29 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.57 0.952 . . . . 7.35 113.57 -172.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -52.15 -58.08 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.661 0.267 . . . . 11.69 111.66 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 p -84.57 -29.29 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.967 0.413 . . . . 11.34 111.826 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.49 -35.84 79.93 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.376 -0.375 . . . . 8.22 110.807 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.502 HD11 HG22 ' A' ' 22' ' ' VAL . 54.3 tp -65.7 -44.62 85.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.546 0.212 . . . . 5.99 111.291 -178.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 34.9 m -71.3 -28.39 32.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-O 120.89 0.376 . . . . 8.67 110.796 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -71.13 -21.46 62.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.11 -0.495 . . . . 12.22 110.671 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -95.81 20.48 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.015 -0.539 . . . . 8.3 111.37 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.507 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -93.61 -179.42 5.02 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.305 -0.558 . . . . 8.36 109.89 177.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.58 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 17.8 t-20 -76.01 139.9 69.69 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.604 -0.517 . . . . 9.4 109.604 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -38.92 -52.91 2.08 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.25 2.634 . . . . 11.66 113.211 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.615 ' O ' ' HB ' ' A' ' 57' ' ' THR . 5.1 t70 -69.29 -39.16 78.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 10.64 110.431 -177.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.623 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 81.0 m -64.19 -43.85 93.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.416 -0.811 . . . . 8.04 110.806 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HG3' ' HB3' ' A' ' 51' ' ' ALA . 4.7 mtpm? -60.82 -38.86 86.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.414 0.626 . . . . 10.04 109.416 175.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.615 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 85.5 m -55.01 -41.56 71.43 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.436 -1.256 . . . . 12.46 111.845 178.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.595 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 43.9 pt -86.4 -36.19 10.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 121.028 -0.269 . . . . 11.46 111.236 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 55.0 mt -55.71 -40.66 72.72 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.534 -0.303 . . . . 11.84 111.764 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -73.51 -19.01 61.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.893 0.378 . . . . 14.91 111.159 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.29 -41.78 19.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.345 -0.389 . . . . 15.64 110.964 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 1.9 pp -98.95 -11.61 21.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.984 0.364 . . . . 15.72 111.984 -176.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.505 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -42.48 -54.48 4.78 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.192 -0.782 . . . . 16.17 114.765 -177.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 63' ' ' GLY . 2.2 Cg_endo -42.46 -47.97 7.15 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.564 2.843 . . . . 17.44 113.883 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.12 -13.43 36.52 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.557 -0.83 . . . . 15.83 112.947 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.68 123.41 37.0 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.264 0.554 . . . . 14.15 111.646 -176.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.3 p -81.05 -177.44 6.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.746 -0.661 . . . . 15.45 110.385 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -56.89 -42.73 80.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.903 0.383 . . . . 12.22 110.539 -176.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.86 -29.58 61.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.48 -0.327 . . . . 16.53 111.795 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.83 -48.13 55.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.343 0.592 . . . . 15.56 109.798 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.496 ' HB2' HD22 ' A' ' 59' ' ' LEU . 27.2 ptm -66.66 -23.54 66.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.211 -0.904 . . . . 10.3 110.321 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 40.2 ttm -65.41 -47.1 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.708 -0.678 . . . . 11.15 109.777 173.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.7 m -66.29 -34.72 78.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.257 -0.883 . . . . 12.02 110.882 176.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 78' ' ' VAL . . . -59.68 -38.65 82.1 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.477 0.547 . . . . 9.32 112.477 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 54.1 m -81.01 -41.99 21.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.736 0.303 . . . . 7.31 111.51 -176.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -71.3 116.08 11.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.176 0.512 . . . . 10.66 110.042 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.93 5.61 61.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.995 -0.621 . . . . 8.85 111.735 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 74' ' ' ALA . 36.7 t 46.55 82.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 123.812 0.845 . . . . 8.24 111.623 -176.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.22 6.27 51.53 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.399 -0.818 . . . . 10.49 112.476 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.68 131.0 2.44 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.739 -0.743 . . . . 10.42 112.136 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.77 56.94 4.86 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.213 2.609 . . . . 12.1 112.897 -178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.39 20.98 0.21 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.021 -0.609 . . . . 11.07 111.8 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -90.88 132.54 35.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.059 0.456 . . . . 10.71 110.83 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.509 ' O ' HG22 ' A' ' 87' ' ' VAL . 18.5 ptmt -88.31 16.68 5.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.954 -0.567 . . . . 12.21 110.799 -178.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.743 ' O ' ' HG ' ' A' ' 88' ' ' LEU . . . -59.91 -19.1 49.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.705 -0.68 . . . . 8.99 110.83 176.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.555 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 28.6 ttp180 -54.34 -37.18 64.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 10.56 111.136 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 84' ' ' LYS . 15.1 m -71.07 -25.97 26.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 121.148 0.499 . . . . 7.9 110.718 -171.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' ' 85' ' ' ALA . 3.5 pp -87.59 -34.51 18.51 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.797 -0.638 . . . . 8.66 109.482 177.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.15 77.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.514 -0.766 . . . . 7.41 110.579 175.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 42.8 mt-10 -62.16 -30.42 71.03 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.977 -0.556 . . . . 8.34 110.384 176.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.523 ' O ' HG13 ' A' ' 95' ' ' VAL . . . -82.38 -37.56 25.42 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.005 -0.543 . . . . 7.39 110.085 177.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 88' ' ' LEU . 97.2 mmm -62.93 -32.87 74.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.296 -0.865 . . . . 10.32 111.037 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 t -83.27 -20.42 34.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.911 0.386 . . . . 9.14 110.349 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -83.94 -30.71 26.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 9.08 111.321 -176.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 91' ' ' ALA . 34.2 m -58.8 -19.38 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 112.073 0.398 . . . . 10.49 112.073 -178.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 37.1 p -56.16 -27.48 54.44 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.156 0.503 . . . . 11.8 111.018 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -123.56 88.24 51.87 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.748 -0.66 . . . . 11.34 109.376 177.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -70.74 -9.53 25.95 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.895 2.397 . . . . 12.7 112.428 -176.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.39 73.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.116 -0.493 . . . . 11.25 111.199 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 p -85.27 -45.18 12.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.072 -0.513 . . . . 10.63 111.395 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.59 -26.33 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.081 -0.509 . . . . 12.53 112.003 -175.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.5 ttm -76.37 -35.35 58.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.683 0.278 . . . . 13.25 111.053 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.23 -56.61 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.799 0.333 . . . . 11.41 110.619 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -63.55 -25.97 68.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.759 -0.655 . . . . 11.93 111.475 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -67.79 -26.65 66.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.924 0.392 . . . . 14.37 110.57 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.62 -63.62 1.68 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.556 -0.831 . . . . 12.03 113.209 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -87.5 -46.45 9.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.762 0.653 . . . . 12.33 112.762 -173.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -72.7 -39.32 67.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 14.51 111.611 -172.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -56.74 -59.08 5.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.112 -0.495 . . . . 15.12 111.463 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 60.16 -84.05 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.649 0.593 . . . . 13.93 109.805 -172.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -129.15 -60.65 1.07 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.298 -1.001 . . . . 14.01 108.298 173.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 51.7 50.34 18.92 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.532 -0.758 . . . . 14.43 111.656 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -78.95 -2.56 40.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.385 -0.371 . . . . 12.41 110.462 177.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.8 t -64.6 -14.26 57.08 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.036 -0.529 . . . . 10.8 112.233 -177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 40.7 t -76.98 -23.82 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.245 0.545 . . . . 11.44 109.852 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.632 ' HA ' ' O ' ' A' ' 123' ' ' GLU . 94.8 mttt -109.75 152.37 25.75 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.551 0.691 . . . . 10.72 110.152 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.575 ' HB2' ' HB2' ' A' ' 125' ' ' HIS . 41.8 t -88.95 97.72 11.35 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.528 -0.76 . . . . 8.16 110.885 -174.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -89.22 65.75 7.4 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.229 0.538 . . . . 7.76 110.512 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.49 HD21 ' HA ' ' A' ' 127' ' ' ALA . 10.1 p30 -173.1 -40.03 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.479 -0.782 . . . . 8.9 111.776 177.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.65 -21.81 2.46 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.705 1.002 . . . . 9.54 113.705 -173.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.91 -34.61 0.16 Allowed Glycine 0 C--N 1.33 0.228 0 C-N-CA 118.863 -1.637 . . . . 9.05 114.963 -168.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp 62.72 27.19 16.01 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.619 0.723 . . . . 12.7 110.227 -174.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.632 ' O ' ' HA ' ' A' ' 116' ' ' LYS . 3.5 pt-20 -132.34 -162.14 1.2 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.995 -1.002 . . . . 12.54 109.423 -178.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -75.41 59.73 2.83 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 114.151 0.421 . . . . 11.83 114.151 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.575 ' HB2' ' HB2' ' A' ' 117' ' ' CYS . 9.8 m170 -117.5 145.03 44.48 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.153 -1.054 . . . . 11.94 108.153 164.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 24.3 pt -78.83 122.99 35.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 108.576 -0.898 . . . . 12.22 108.576 167.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.49 ' HA ' HD21 ' A' ' 119' ' ' ASN . . . -55.03 -18.33 5.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 9.79 111.831 -177.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -63.69 -41.68 98.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.987 -0.551 . . . . 13.15 111.805 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.97 -23.31 21.57 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.574 -0.45 . . . . 14.48 111.065 -171.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 99.3 m -81.11 124.95 29.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.371 -0.377 . . . . 11.41 110.22 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -90.13 98.01 11.52 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.964 0.412 . . . . 17.31 110.355 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.42 ' HB1' ' HD2' ' A' ' 133' ' ' PRO . . . -165.84 159.19 13.09 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 11.89 109.316 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.451 ' HB2' ' NE1' ' A' ' 139' ' ' TRP . 22.4 Cg_endo -60.82 144.56 99.58 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.295 1.996 . . . . 13.32 112.781 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.717 ' HB2' ' CD1' ' A' ' 139' ' ' TRP . 40.2 ttm180 80.79 5.89 1.48 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.437 1.095 . . . . 12.3 110.611 -177.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -70.72 -30.04 66.47 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.164 0.507 . . . . 10.11 109.713 173.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -84.6 -0.61 53.92 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.454 -0.943 . . . . 11.69 108.454 168.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 134' ' ' ARG . . . 92.95 -7.69 76.54 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 114.791 -1.095 . . . . 9.53 113.003 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.568 ' SG ' ' N ' ' A' ' 141' ' ' CYS . 36.3 t -120.54 147.21 45.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.323 0.86 . . . . 12.01 113.323 -172.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.717 ' CD1' ' HB2' ' A' ' 134' ' ' ARG . 10.8 m0 -115.31 22.19 13.47 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.31 0.856 . . . . 11.32 113.31 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.407 ' HE2' ' OE2' ' A' ' 153' ' ' GLU . 38.5 tptt -161.65 -51.32 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.769 1.026 . . . . 16.11 113.769 -179.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . 0.568 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 3.2 m -66.55 -18.1 65.18 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.138 0.494 . . . . 13.97 109.748 -177.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 68.65 17.34 70.9 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.606 -0.724 . . . . 12.26 112.256 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.513 ' HG2' ' H ' ' A' ' 145' ' ' GLY . 8.0 ttpm? -152.58 151.58 30.82 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.892 -0.41 . . . . 15.88 109.892 -173.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 144' ' ' GLU . 1.1 pm0 -81.0 -3.21 50.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 14.2 111.794 -175.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.513 ' H ' ' HG2' ' A' ' 143' ' ' LYS . . . -83.73 58.39 5.02 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.012 -0.613 . . . . 13.35 111.716 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' A' ' 148' ' ' MET . 0.2 OUTLIER -150.32 161.38 42.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.042 -0.725 . . . . 14.96 109.042 -176.769 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.436 ' HB2' ' HB2' ' A' ' 150' ' ' ASP . 12.7 mm100 -89.79 -4.73 57.49 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.446 0.536 . . . . 15.24 112.446 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.577 ' HA ' ' CE1' ' A' ' 146' ' ' HIS . 8.7 tmm? 69.09 -47.71 0.58 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.546 0.738 . . . . 13.85 112.485 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 149' ' ' LYS . 16.0 tptm -71.43 -42.28 68.44 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.154 -0.684 . . . . 16.38 109.154 171.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.436 ' HB2' ' HB2' ' A' ' 147' ' ' GLN . 7.7 m-20 -88.37 20.46 3.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.395 -0.82 . . . . 17.63 110.232 176.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 28.8 t -55.51 119.12 5.16 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.581 -0.526 . . . . 15.97 109.581 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 17.4 m -63.27 110.82 2.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 18.95 111.303 -176.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.407 ' OE2' ' HE2' ' A' ' 140' ' ' LYS . 0.2 OUTLIER -122.67 131.63 53.89 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.818 -0.808 . . . . 19.35 108.818 177.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -105.36 -23.08 12.91 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.396 -0.366 . . . . 23.48 111.422 -171.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -73.87 -40.48 63.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.965 0.412 . . . . 22.51 110.468 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -82.62 72.19 9.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.196 -0.456 . . . . 23.3 110.456 175.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.365 -0.826 . . . . 24.3 110.88 -177.262 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_